2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide

C17H17N3O3S — CID 95619904

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide
SMILESCn1c(=O)n(CC(=O)Nc2cccc([S@@](C)=O)c2)c2ccccc21
InChIInChI=1S/C17H17N3O3S/c1-19-14-8-3-4-9-15(14)20(17(19)22)11-16(21)18-12-6-5-7-13(10-12)24(2)23/h3-10H,11H2,1-2H3,(H,18,21)/t24-/m1/s1
InChIKeyVLBOIAFXCJLBPO-XMMPIXPASA-N
MW343.41 g/mol
LogP1.72
Rot. Bonds4

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide (PubChem CID 95619904) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide
PubChem CID95619904
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide
SMILESCn1c(=O)n(CC(=O)Nc2cccc([S@@](C)=O)c2)c2ccccc21
InChIInChI=1S/C17H17N3O3S/c1-19-14-8-3-4-9-15(14)20(17(19)22)11-16(21)18-12-6-5-7-13(10-12)24(2)23/h3-10H,11H2,1-2H3,(H,18,21)/t24-/m1/s1
InChIKeyVLBOIAFXCJLBPO-XMMPIXPASA-N
XLogP1.72
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32639195
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
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2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17449983
methyl 3-[2-[3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]phenyl]ethynyl]benzoate
CID 55531556
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17472904
2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55495817
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
N-(1H-indazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 71943300
tert-butyl N-methyl-N-[[3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]phenyl]methyl]carbamate
CID 55851449
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide (CID 95619904) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide is Cn1c(=O)n(CC(=O)Nc2cccc([S@@](C)=O)c2)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide?
The InChIKey is VLBOIAFXCJLBPO-XMMPIXPASA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-19-14-8-3-4-9-15(14)20(17(19)22)11-16(21)18-12-6-5-7-13(10-12)24(2)23/h3-10H,11H2,1-2H3,(H,18,21)/t24-/m1/s1.
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide is sourced from PubChem (CID 95619904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).