1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone

C13H14N2O2 — CID 21025939

IUPAC1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
SMILESCCn1c(C(C)=O)nc2cc(C(C)=O)ccc21
InChIInChI=1S/C13H14N2O2/c1-4-15-12-6-5-10(8(2)16)7-11(12)14-13(15)9(3)17/h5-7H,4H2,1-3H3
InChIKeyLIQCOJUPWOQKMI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.46
Rot. Bonds3

About 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone

1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone (PubChem CID 21025939) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
PubChem CID21025939
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
SMILESCCn1c(C(C)=O)nc2cc(C(C)=O)ccc21
InChIInChI=1S/C13H14N2O2/c1-4-15-12-6-5-10(8(2)16)7-11(12)14-13(15)9(3)17/h5-7H,4H2,1-3H3
InChIKeyLIQCOJUPWOQKMI-UHFFFAOYSA-N
XLogP2.46
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
CID 9267921
1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone
CID 82142245
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone (CID 21025939) is 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone is CCn1c(C(C)=O)nc2cc(C(C)=O)ccc21.
What is the InChIKey of 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone?
The InChIKey is LIQCOJUPWOQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-4-15-12-6-5-10(8(2)16)7-11(12)14-13(15)9(3)17/h5-7H,4H2,1-3H3.
What are the key properties of 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone?
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 21025939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).