1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone

C12H14N2O — CID 84619903

IUPAC1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone
SMILESCCc1cccc2nc(C(C)=O)n(C)c12
InChIInChI=1S/C12H14N2O/c1-4-9-6-5-7-10-11(9)14(3)12(13-10)8(2)15/h5-7H,4H2,1-3H3
InChIKeyZUXGOQZFFKQZQN-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.34
Rot. Bonds2

About 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone

1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone (PubChem CID 84619903) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone
PubChem CID84619903
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone
SMILESCCc1cccc2nc(C(C)=O)n(C)c12
InChIInChI=1S/C12H14N2O/c1-4-9-6-5-7-10-11(9)14(3)12(13-10)8(2)15/h5-7H,4H2,1-3H3
InChIKeyZUXGOQZFFKQZQN-UHFFFAOYSA-N
XLogP2.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-amino-1-methylbenzimidazole-2-carboxylate
CID 131268180
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
2-(7-ethyl-1-methylindol-2-yl)acetic acid
CID 83859943
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole
CID 118336706
1-(2,6-diethylphenyl)ethanone
CID 14939611
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide
CID 69457605
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one
CID 145424412
2-(7-ethyl-1-methylindol-3-yl)acetamide
CID 82493072
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone (CID 84619903) is 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone is CCc1cccc2nc(C(C)=O)n(C)c12.
What is the InChIKey of 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone?
The InChIKey is ZUXGOQZFFKQZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-9-6-5-7-10-11(9)14(3)12(13-10)8(2)15/h5-7H,4H2,1-3H3.
What are the key properties of 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone?
1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone has a molecular weight of 202.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 84619903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).