2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide

C14H16ClN3OS — CID 2087499

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1CCCC1
InChIInChI=1S/C14H16ClN3OS/c15-9-5-6-11-12(7-9)18-14(17-11)20-8-13(19)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,19)(H,17,18)
InChIKeySKGCSDUVFFFJEJ-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.37
Rot. Bonds4

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 2087499) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID2087499
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1CCCC1
InChIInChI=1S/C14H16ClN3OS/c15-9-5-6-11-12(7-9)18-14(17-11)20-8-13(19)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,19)(H,17,18)
InChIKeySKGCSDUVFFFJEJ-UHFFFAOYSA-N
XLogP3.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide 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

(5-chloro-1H-benzimidazol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 10446295
[(2S,4S)-4-[4-(6-chloro-1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 66559299
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 756022
2-((6-Chloro-1H-benzimidazol-2-yl)thio)acetic acid
CID 225102
6-Chloro-2-(methylsulfanyl)-1H-benzimidazole
CID 351917
2-((1H-benzo[d]imidazol-2-yl)thio)-1-(piperidin-1-yl)ethanone
CID 757389
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-
CID 207449
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
CID 218692
dCeMM3
CID 684872
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 4374872
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide
CID 4809882
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 5138165

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide (CID 2087499) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide is O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1CCCC1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is SKGCSDUVFFFJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-9-5-6-11-12(7-9)18-14(17-11)20-8-13(19)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,19)(H,17,18).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 309.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 2087499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).