N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide

C16H15N3O3S — CID 141151622

IUPACN-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc3[nH]cnc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)12-7-5-11(6-8-12)9-17-16(20)13-3-2-4-14-15(13)19-10-18-14/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyMCRYTHCOGIMLGQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.90
Rot. Bonds4

About N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide

N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 141151622) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide
PubChem CID141151622
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc3[nH]cnc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)12-7-5-11(6-8-12)9-17-16(20)13-3-2-4-14-15(13)19-10-18-14/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyMCRYTHCOGIMLGQ-UHFFFAOYSA-N
XLogP1.90
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
lithium 1H-benzimidazole-4-carboxylate
CID 141288016
1H-benzimidazole-4-carboxylic acid
CID 2771758
N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
CID 60553593
N-[(4-methylsulfanylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 90962785
2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60553703
N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide
CID 141151618
N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 141094510
N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
CID 110700851
N-[1-[(3,5-dimethylphenyl)methylamino]cyclopropyl]-1H-benzimidazole-4-carboxamide
CID 87941661
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide (CID 141151622) is N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cccc3[nH]cnc23)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is MCRYTHCOGIMLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-23(21,22)12-7-5-11(6-8-12)9-17-16(20)13-3-2-4-14-15(13)19-10-18-14/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141151622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).