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

C20H22ClN3OS — CID 55340316

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3OS/c1-15-23-18-5-2-3-6-19(18)24(15)12-4-11-22-20(25)14-26-13-16-7-9-17(21)10-8-16/h2-3,5-10H,4,11-14H2,1H3,(H,22,25)
InChIKeyXANXRLSLLZOCPL-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.44
Rot. Bonds8

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

2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide (PubChem CID 55340316) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
PubChem CID55340316
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3OS/c1-15-23-18-5-2-3-6-19(18)24(15)12-4-11-22-20(25)14-26-13-16-7-9-17(21)10-8-16/h2-3,5-10H,4,11-14H2,1H3,(H,22,25)
InChIKeyXANXRLSLLZOCPL-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-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
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
2-(4-chlorophenoxy)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51862887
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 110309383
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55451065
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide (CID 55340316) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide is Cc1nc2ccccc2n1CCCNC(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
The InChIKey is XANXRLSLLZOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-15-23-18-5-2-3-6-19(18)24(15)12-4-11-22-20(25)14-26-13-16-7-9-17(21)10-8-16/h2-3,5-10H,4,11-14H2,1H3,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide has a molecular weight of 387.94 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 55340316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).