3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide

C17H17N3O3S — CID 71942268

IUPAC3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)11-16-19-14-7-2-3-8-15(14)20(16)10-12-5-4-6-13(9-12)17(18)21/h2-9H,10-11H2,1H3,(H2,18,21)
InChIKeyRSOZJSNTIYPEMD-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.73
Rot. Bonds5

About 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide

3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide (PubChem CID 71942268) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide
PubChem CID71942268
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)11-16-19-14-7-2-3-8-15(14)20(16)10-12-5-4-6-13(9-12)17(18)21/h2-9H,10-11H2,1H3,(H2,18,21)
InChIKeyRSOZJSNTIYPEMD-UHFFFAOYSA-N
XLogP1.73
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid
CID 82358949
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 110899899
3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide
CID 119112037
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
3-[[2-(methylamino)benzimidazol-1-yl]methyl]benzoic acid
CID 82359443
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide?
The IUPAC name of 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide (CID 71942268) is 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide is CS(=O)(=O)Cc1nc2ccccc2n1Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide?
The InChIKey is RSOZJSNTIYPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)11-16-19-14-7-2-3-8-15(14)20(16)10-12-5-4-6-13(9-12)17(18)21/h2-9H,10-11H2,1H3,(H2,18,21).
What are the key properties of 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide?
3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide has a molecular weight of 343.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 71942268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).