N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide

C24H22ClN3O3 — CID 5012814

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCCc4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C24H22ClN3O3/c1-30-19-8-10-23(31-2)22(14-19)28-15-27-20-13-17(5-9-21(20)28)24(29)26-12-11-16-3-6-18(25)7-4-16/h3-10,13-15H,11-12H2,1-2H3,(H,26,29)
InChIKeyRMKOISXQHMFVAU-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.67
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 5012814) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
PubChem CID5012814
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCCc4ccc(Cl)cc4)ccc32)c1
InChIInChI=1S/C24H22ClN3O3/c1-30-19-8-10-23(31-2)22(14-19)28-15-27-20-13-17(5-9-21(20)28)24(29)26-12-11-16-3-6-18(25)7-4-16/h3-10,13-15H,11-12H2,1-2H3,(H,26,29)
InChIKeyRMKOISXQHMFVAU-UHFFFAOYSA-N
XLogP4.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide 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

1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 4288193
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277387

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide (CID 5012814) is N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide is COc1ccc(OC)c(-n2cnc3cc(C(=O)NCCc4ccc(Cl)cc4)ccc32)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is RMKOISXQHMFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-30-19-8-10-23(31-2)22(14-19)28-15-27-20-13-17(5-9-21(20)28)24(29)26-12-11-16-3-6-18(25)7-4-16/h3-10,13-15H,11-12H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 5012814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).