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

C21H19N3O2S — CID 24682430

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCn1c(=O)n(CC(=O)NC(c2ccccc2)c2cccs2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-23-16-10-5-6-11-17(16)24(21(23)26)14-19(25)22-20(18-12-7-13-27-18)15-8-3-2-4-9-15/h2-13,20H,14H2,1H3,(H,22,25)
InChIKeyJPPNQIZSAABDID-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.31
Rot. Bonds5

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

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 24682430) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID24682430
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCn1c(=O)n(CC(=O)NC(c2ccccc2)c2cccs2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-23-16-10-5-6-11-17(16)24(21(23)26)14-19(25)22-20(18-12-7-13-27-18)15-8-3-2-4-9-15/h2-13,20H,14H2,1H3,(H,22,25)
InChIKeyJPPNQIZSAABDID-UHFFFAOYSA-N
XLogP3.31
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8627160
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8581331
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 24682652
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 24682430) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide is Cn1c(=O)n(CC(=O)NC(c2ccccc2)c2cccs2)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is JPPNQIZSAABDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-23-16-10-5-6-11-17(16)24(21(23)26)14-19(25)22-20(18-12-7-13-27-18)15-8-3-2-4-9-15/h2-13,20H,14H2,1H3,(H,22,25).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.31, 5 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-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 24682430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).