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

C17H16ClN3OS — CID 2081872

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccccc1
InChIInChI=1S/C17H16ClN3OS/c18-13-6-7-14-15(10-13)21-17(20-14)23-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
InChIKeyGMPAIWOUZWEIKI-UHFFFAOYSA-N
MW345.86 g/mol
LogP3.67
Rot. Bonds6

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

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 2081872) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID2081872
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccccc1
InChIInChI=1S/C17H16ClN3OS/c18-13-6-7-14-15(10-13)21-17(20-14)23-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
InChIKeyGMPAIWOUZWEIKI-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[6-chloro-5-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]sulfanyl]-4-methylcyclohexyl]-N-methylacetamide
CID 44143433
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
CID 218692
N-[4-[[6-chloro-5-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]sulfanyl]-4-methylcyclohexyl]acetamide
CID 44143448
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-fluorobenzyl)acetamide
CID 2080354
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2087499
N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2433271
2-[(5-methyl-1H-benzimidazol-2-yl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810019
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
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16319448
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide
CID 24817887

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 2081872) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCCc1ccccc1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is GMPAIWOUZWEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c18-13-6-7-14-15(10-13)21-17(20-14)23-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 345.86 g/mol, XLogP of 3.67, 6 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 2081872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).