1-(1-benzylbenzimidazol-2-yl)ethanone

C16H14N2O — CID 797053

IUPAC1-(1-benzylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyGHUXGFNIXCEWAP-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.29
Rot. Bonds3

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

1-(1-benzylbenzimidazol-2-yl)ethanone (PubChem CID 797053) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(1-benzylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzylbenzimidazol-2-yl)ethanone
PubChem CID797053
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(1-benzylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H14N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyGHUXGFNIXCEWAP-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-benzylbenzimidazol-2-yl)ethanone (CID 797053) is 1-(1-benzylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-benzylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-benzylbenzimidazol-2-yl)ethanone is CC(=O)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylbenzimidazol-2-yl)ethanone?
The InChIKey is GHUXGFNIXCEWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 1-(1-benzylbenzimidazol-2-yl)ethanone?
1-(1-benzylbenzimidazol-2-yl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 797053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).