2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide

C22H24ClN3O — CID 110309383

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C22H24ClN3O/c1-15-25-19-5-2-3-6-20(19)26(15)14-4-13-24-22(27)21(16-7-8-16)17-9-11-18(23)12-10-17/h2-3,5-6,9-12,16,21H,4,7-8,13-14H2,1H3,(H,24,27)
InChIKeyOYEXPLZGTVLZSL-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.70
Rot. Bonds7

About 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide (PubChem CID 110309383) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
PubChem CID110309383
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C22H24ClN3O/c1-15-25-19-5-2-3-6-20(19)26(15)14-4-13-24-22(27)21(16-7-8-16)17-9-11-18(23)12-10-17/h2-3,5-6,9-12,16,21H,4,7-8,13-14H2,1H3,(H,24,27)
InChIKeyOYEXPLZGTVLZSL-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide 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

3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
2-(4-chlorophenoxy)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51862887
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340316
3-(hydroxymethyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443524
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
N-[2-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111352828

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide (CID 110309383) is 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide is Cc1nc2ccccc2n1CCCNC(=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
The InChIKey is OYEXPLZGTVLZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-15-25-19-5-2-3-6-20(19)26(15)14-4-13-24-22(27)21(16-7-8-16)17-9-11-18(23)12-10-17/h2-3,5-6,9-12,16,21H,4,7-8,13-14H2,1H3,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide has a molecular weight of 381.91 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 110309383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).