2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide

C16H14ClN3OS — CID 40688936

IUPAC2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H14ClN3OS/c17-12-7-5-11(6-8-12)10-22-16-19-13-3-1-2-4-14(13)20(16)9-15(18)21/h1-8H,9-10H2,(H2,18,21)
InChIKeyBDZOPMAAJSLSCZ-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.47
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide

2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide (PubChem CID 40688936) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
PubChem CID40688936
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H14ClN3OS/c17-12-7-5-11(6-8-12)10-22-16-19-13-3-1-2-4-14(13)20(16)9-15(18)21/h1-8H,9-10H2,(H2,18,21)
InChIKeyBDZOPMAAJSLSCZ-UHFFFAOYSA-N
XLogP3.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]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

methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetate
CID 56697290
1-(4-benzylpiperazin-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone
CID 4046484
methyl 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 43814545
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 1273809
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 1470365
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
CID 177378840
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
2-[2-[(3-bromophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 70688381
2-[2-[2-(4-chlorophenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
CID 7000527
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide (CID 40688936) is 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide is NC(=O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
The InChIKey is BDZOPMAAJSLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-12-7-5-11(6-8-12)10-22-16-19-13-3-1-2-4-14(13)20(16)9-15(18)21/h1-8H,9-10H2,(H2,18,21).
What are the key properties of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide has a molecular weight of 331.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 40688936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).