N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide

C29H28ClN5O3 — CID 171849370

IUPACN-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide
SMILESCNC(=O)[C@@H]1CC[C@@H](n2c(-c3cccc(Cl)c3)nc3ccc(C(=O)NCc4cccc(C(N)=O)c4)cc32)C1
InChIInChI=1S/C29H28ClN5O3/c1-32-28(37)20-8-10-23(14-20)35-25-15-21(29(38)33-16-17-4-2-5-18(12-17)26(31)36)9-11-24(25)34-27(35)19-6-3-7-22(30)13-19/h2-7,9,11-13,15,20,23H,8,10,14,16H2,1H3,(H2,31,36)(H,32,37)(H,33,38)/t20-,23-/m1/s1
InChIKeyNZALMOGTXNKESV-NFBKMPQASA-N
MW530.03 g/mol
LogP4.47
Rot. Bonds7

About N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide

N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide (PubChem CID 171849370) has the molecular formula C29H28ClN5O3 and a molecular weight of 530.03 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide
PubChem CID171849370
Molecular FormulaC29H28ClN5O3
Molecular Weight530.03 g/mol
Exact Mass529.19
IUPAC NameN-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide
SMILESCNC(=O)[C@@H]1CC[C@@H](n2c(-c3cccc(Cl)c3)nc3ccc(C(=O)NCc4cccc(C(N)=O)c4)cc32)C1
InChIInChI=1S/C29H28ClN5O3/c1-32-28(37)20-8-10-23(14-20)35-25-15-21(29(38)33-16-17-4-2-5-18(12-17)26(31)36)9-11-24(25)34-27(35)19-6-3-7-22(30)13-19/h2-7,9,11-13,15,20,23H,8,10,14,16H2,1H3,(H2,31,36)(H,32,37)(H,33,38)/t20-,23-/m1/s1
InChIKeyNZALMOGTXNKESV-NFBKMPQASA-N
XLogP4.47
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.03
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]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

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide (CID 171849370) is N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide is CNC(=O)[C@@H]1CC[C@@H](n2c(-c3cccc(Cl)c3)nc3ccc(C(=O)NCc4cccc(C(N)=O)c4)cc32)C1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide?
The InChIKey is NZALMOGTXNKESV-NFBKMPQASA-N. The full InChI is InChI=1S/C29H28ClN5O3/c1-32-28(37)20-8-10-23(14-20)35-25-15-21(29(38)33-16-17-4-2-5-18(12-17)26(31)36)9-11-24(25)34-27(35)19-6-3-7-22(30)13-19/h2-7,9,11-13,15,20,23H,8,10,14,16H2,1H3,(H2,31,36)(H,32,37)(H,33,38)/t20-,23-/m1/s1.
What are the key properties of N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide?
N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide has a molecular weight of 530.03 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-2-(3-chlorophenyl)-3-[(1R,3R)-3-(methylcarbamoyl)cyclopentyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 171849370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).