[email protected]
CAS 1130067-06-9 N-[(1S)-2-[4-(5-Chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl-2-naphthalenecarboxamide molecular structure lightbox
CAS RN: 1130067-06-9

N-[(1S)-2-[4-(5-Chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl-2-naphthalenecarboxamide

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250307 10mg In stock Inquiry
Batchno.20260327 1mg In stock Inquiry
Batchno.20250618 25mg In stock Inquiry
Batchno.20260312 50mg In stock Inquiry
Batchno.20260131 5mg In stock Inquiry
  • Product code: starshine_CAS1130067-06-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1130067-06-9 / N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide;hydrochloride

NSC646474 | N'-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]oxamide | NSC-646474

Standard CAS: 1130067-06-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1130067-06-9
Multi CAS
Yes
Molecular Formula
C26H28Cl2N4O2
Molecular Weight
499.400000
Exact Mass
498.158932
SMILES
C[C@@H](CN1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=O)NC(=O)C4=CC5=CC=CC=C5C=C4.Cl
InChI
InChI=1S/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1
InChIKey
DRIMIUYGTDAQOX-KRWDZBQOSA-N
Synonyms
NSC646474 N'-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]oxamide NSC-646474 N~1~-(1-Adamantyl)-N~2~-(1-(4-chlorobenzyl)-1H-benzimidazol-2-yl)ethanediamide

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
19
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
140.4
TPSA
70.13

LogP / Solubility

WLOGP
5.01
MLOGP
4.45
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us