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

C11H12N2O — CID 5149999

IUPAC1-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(C(C)=O)nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-3-13-10-7-5-4-6-9(10)12-11(13)8(2)14/h4-7H,3H2,1-2H3
InChIKeyZJXRRZIIMLVQCB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.26
Rot. Bonds2

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

1-(1-ethylbenzimidazol-2-yl)ethanone (PubChem CID 5149999) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)ethanone
PubChem CID5149999
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(1-ethylbenzimidazol-2-yl)ethanone
SMILESCCn1c(C(C)=O)nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-3-13-10-7-5-4-6-9(10)12-11(13)8(2)14/h4-7H,3H2,1-2H3
InChIKeyZJXRRZIIMLVQCB-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone
CID 19256617
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
CID 19256624
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
2-(2-acetylbenzimidazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
CID 46984636
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)ethanone (CID 5149999) is 1-(1-ethylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)ethanone is CCn1c(C(C)=O)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)ethanone?
The InChIKey is ZJXRRZIIMLVQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-13-10-7-5-4-6-9(10)12-11(13)8(2)14/h4-7H,3H2,1-2H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)ethanone?
1-(1-ethylbenzimidazol-2-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 5149999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).