1-(1-ethylbenzimidazol-2-yl)butan-2-one

C13H16N2O — CID 79754082

IUPAC1-(1-ethylbenzimidazol-2-yl)butan-2-one
SMILESCCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C13H16N2O/c1-3-10(16)9-13-14-11-7-5-6-8-12(11)15(13)4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyZDFONQKYXYPIRT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds4

About 1-(1-ethylbenzimidazol-2-yl)butan-2-one

1-(1-ethylbenzimidazol-2-yl)butan-2-one (PubChem CID 79754082) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)butan-2-one
PubChem CID79754082
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-ethylbenzimidazol-2-yl)butan-2-one
SMILESCCC(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C13H16N2O/c1-3-10(16)9-13-14-11-7-5-6-8-12(11)15(13)4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyZDFONQKYXYPIRT-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(ethylamino)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116562664
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589893
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
1-(1-ethylbenzimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105114577
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)butan-2-one?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)butan-2-one (CID 79754082) is 1-(1-ethylbenzimidazol-2-yl)butan-2-one.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)butan-2-one?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)butan-2-one is CCC(=O)Cc1nc2ccccc2n1CC.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)butan-2-one?
The InChIKey is ZDFONQKYXYPIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10(16)9-13-14-11-7-5-6-8-12(11)15(13)4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)butan-2-one?
1-(1-ethylbenzimidazol-2-yl)butan-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.58, 4 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)butan-2-one is sourced from PubChem (CID 79754082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).