1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide

C16H17N3O2S — CID 110765387

IUPAC1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)NCCc3cccs3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-18-13-6-5-11(10-14(13)19(2)16(18)21)15(20)17-8-7-12-4-3-9-22-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)
InChIKeySEJAGBCASRWJCY-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.91
Rot. Bonds4

About 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide

1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide (PubChem CID 110765387) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
PubChem CID110765387
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)NCCc3cccs3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-18-13-6-5-11(10-14(13)19(2)16(18)21)15(20)17-8-7-12-4-3-9-22-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)
InChIKeySEJAGBCASRWJCY-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 9396044
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110791294
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-(2-oxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 51074825
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
CID 110791278
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide (CID 110765387) is 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide is Cn1c(=O)n(C)c2cc(C(=O)NCCc3cccs3)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is SEJAGBCASRWJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-18-13-6-5-11(10-14(13)19(2)16(18)21)15(20)17-8-7-12-4-3-9-22-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide?
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 110765387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).