2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide

C20H17N3OS — CID 817609

IUPAC2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C20H17N3OS/c21-19(24)13-25-20-22-17-10-3-4-11-18(17)23(20)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H2,21,24)
InChIKeyVNQNQJCZLDQEHO-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.82
Rot. Bonds5

About 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide

2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 817609) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID817609
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C20H17N3OS/c21-19(24)13-25-20-22-17-10-3-4-11-18(17)23(20)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H2,21,24)
InChIKeyVNQNQJCZLDQEHO-UHFFFAOYSA-N
XLogP3.82
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18811357
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 43814509
1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968882
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-benzyl-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347404
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420

Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide (CID 817609) is 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide is NC(=O)CSc1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is VNQNQJCZLDQEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c21-19(24)13-25-20-22-17-10-3-4-11-18(17)23(20)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H2,21,24).
What are the key properties of 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide?
2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 817609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).