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

C16H17N3O2S — CID 32990360

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C16H17N3O2S/c1-11-7-8-22-14(11)9-17-15(20)10-19-13-6-4-3-5-12(13)18(2)16(19)21/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyGVCKPCWHGUBPFD-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.03
Rot. Bonds4

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

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 32990360) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID32990360
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C16H17N3O2S/c1-11-7-8-22-14(11)9-17-15(20)10-19-13-6-4-3-5-12(13)18(2)16(19)21/h3-8H,9-10H2,1-2H3,(H,17,20)
InChIKeyGVCKPCWHGUBPFD-UHFFFAOYSA-N
XLogP2.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17497629
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32778294
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17454926
3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981
N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32917381
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24611766
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 47082712

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 32990360) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is GVCKPCWHGUBPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-7-8-22-14(11)9-17-15(20)10-19-13-6-4-3-5-12(13)18(2)16(19)21/h3-8H,9-10H2,1-2H3,(H,17,20).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.03, 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-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 32990360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).