N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide

C17H17N3OS — CID 51143918

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3OS/c1-12-6-2-5-9-15(12)22-11-17(21)18-10-16-19-13-7-3-4-8-14(13)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyJMNNJCZORQNMFP-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.28
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide

N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 51143918) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID51143918
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3OS/c1-12-6-2-5-9-15(12)22-11-17(21)18-10-16-19-13-7-3-4-8-14(13)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyJMNNJCZORQNMFP-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
N-(1H-benzimidazol-2-ylmethyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 112791105
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 18086685
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 112791121
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
N-(1H-benzimidazol-2-ylmethyl)-2-(3-bromo-2-methylindol-1-yl)acetamide
CID 60520299
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide (CID 51143918) is N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is JMNNJCZORQNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-6-2-5-9-15(12)22-11-17(21)18-10-16-19-13-7-3-4-8-14(13)20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 51143918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).