1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone

C14H12N2OS — CID 13177411

IUPAC1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C14H12N2OS/c1-9(17)12-7-8-13(18-12)14-15-10-5-3-4-6-11(10)16(14)2/h3-8H,1-2H3
InChIKeyMXJVKRCCYNEYJM-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.50
Rot. Bonds2

About 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone

1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone (PubChem CID 13177411) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
PubChem CID13177411
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C14H12N2OS/c1-9(17)12-7-8-13(18-12)14-15-10-5-3-4-6-11(10)16(14)2/h3-8H,1-2H3
InChIKeyMXJVKRCCYNEYJM-UHFFFAOYSA-N
XLogP3.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 4731737
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731778
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4731716
5-(1-methylbenzimidazol-2-yl)-N'-(4-nitrophenyl)thiophene-2-carbohydrazide
CID 4731758
5-(1-methylbenzimidazol-2-yl)-N'-(3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731815
1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
CID 63379627
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4732078

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone (CID 13177411) is 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nc3ccccc3n2C)s1.
What is the InChIKey of 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone?
The InChIKey is MXJVKRCCYNEYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9(17)12-7-8-13(18-12)14-15-10-5-3-4-6-11(10)16(14)2/h3-8H,1-2H3.
What are the key properties of 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone?
1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone has a molecular weight of 256.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 13177411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).