4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide

C24H29ClN4O — CID 25101001

IUPAC4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN4O/c1-3-29(4-2)22-15-20-19(26-23(27-20)16-8-6-5-7-9-16)14-21(22)28-24(30)17-10-12-18(25)13-11-17/h10-16H,3-9H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyNZPFXNAUXZOPOQ-UHFFFAOYSA-N
MW424.98 g/mol
LogP6.36
Rot. Bonds6

About 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide

4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide (PubChem CID 25101001) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
PubChem CID25101001
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN4O/c1-3-29(4-2)22-15-20-19(26-23(27-20)16-8-6-5-7-9-16)14-21(22)28-24(30)17-10-12-18(25)13-11-17/h10-16H,3-9H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyNZPFXNAUXZOPOQ-UHFFFAOYSA-N
XLogP6.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide
CID 72793866
N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
CID 71738019
1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea
CID 72793846
4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 59530548
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]butanamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]cyclopentanecarboxamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]pentanamide;propyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate
CID 159511219
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
CID 68511451
N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 72793662
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
CID 59530587
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide (CID 25101001) is 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide is CCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is NZPFXNAUXZOPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-3-29(4-2)22-15-20-19(26-23(27-20)16-8-6-5-7-9-16)14-21(22)28-24(30)17-10-12-18(25)13-11-17/h10-16H,3-9H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide?
4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 424.98 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 25101001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).