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

C11H12N2O — CID 45078254

IUPAC1-(2-ethylbenzimidazol-1-yl)ethanone
SMILESCCc1nc2ccccc2n1C(C)=O
InChIInChI=1S/C11H12N2O/c1-3-11-12-9-6-4-5-7-10(9)13(11)8(2)14/h4-7H,3H2,1-2H3
InChIKeyRKADZWDHVPFJBE-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.26
Rot. Bonds1

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

1-(2-ethylbenzimidazol-1-yl)ethanone (PubChem CID 45078254) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-ethylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylbenzimidazol-1-yl)ethanone
PubChem CID45078254
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(2-ethylbenzimidazol-1-yl)ethanone
SMILESCCc1nc2ccccc2n1C(C)=O
InChIInChI=1S/C11H12N2O/c1-3-11-12-9-6-4-5-7-10(9)13(11)8(2)14/h4-7H,3H2,1-2H3
InChIKeyRKADZWDHVPFJBE-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
1-(2-diethylphosphanylbenzimidazol-1-yl)ethanone
CID 122452577
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
CID 23938133
N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 539507
N-(2-ethylbenzimidazol-1-yl)propanamide
CID 121011146
ethane;2-ethyl-1-hydroxybenzimidazole;methanethiol
CID 145270197
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
methyl 4-(2-ethylbenzimidazol-1-yl)-2-methylbut-2-enoate
CID 77074489
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-ethylbenzimidazol-1-yl)ethanone (CID 45078254) is 1-(2-ethylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-ethylbenzimidazol-1-yl)ethanone is CCc1nc2ccccc2n1C(C)=O.
What is the InChIKey of 1-(2-ethylbenzimidazol-1-yl)ethanone?
The InChIKey is RKADZWDHVPFJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-11-12-9-6-4-5-7-10(9)13(11)8(2)14/h4-7H,3H2,1-2H3.
What are the key properties of 1-(2-ethylbenzimidazol-1-yl)ethanone?
1-(2-ethylbenzimidazol-1-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 45078254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).