2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide

C17H17N3OS — CID 847863

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
SMILESO=C(CSCc1nc2ccccc2[nH]1)NCc1ccccc1
InChIInChI=1S/C17H17N3OS/c21-17(18-10-13-6-2-1-3-7-13)12-22-11-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyAOCKZDDSBKDCFZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.11
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide (PubChem CID 847863) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
PubChem CID847863
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
SMILESO=C(CSCc1nc2ccccc2[nH]1)NCc1ccccc1
InChIInChI=1S/C17H17N3OS/c21-17(18-10-13-6-2-1-3-7-13)12-22-11-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyAOCKZDDSBKDCFZ-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 56786848
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-chlorophenyl)acetamide
CID 8762462
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
CID 8713802
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 583439
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8761822
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51143918

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide (CID 847863) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide is O=C(CSCc1nc2ccccc2[nH]1)NCc1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide?
The InChIKey is AOCKZDDSBKDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17(18-10-13-6-2-1-3-7-13)12-22-11-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide is sourced from PubChem (CID 847863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).