(1-ethylbenzimidazol-2-yl)-phenylmethanone

C16H14N2O — CID 67579558

IUPAC(1-ethylbenzimidazol-2-yl)-phenylmethanone
SMILESCCn1c(C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N2O/c1-2-18-14-11-7-6-10-13(14)17-16(18)15(19)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyJOLVUDMKEXQRKT-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.29
Rot. Bonds3

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

(1-ethylbenzimidazol-2-yl)-phenylmethanone (PubChem CID 67579558) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (1-ethylbenzimidazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-ethylbenzimidazol-2-yl)-phenylmethanone
PubChem CID67579558
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(1-ethylbenzimidazol-2-yl)-phenylmethanone
SMILESCCn1c(C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N2O/c1-2-18-14-11-7-6-10-13(14)17-16(18)15(19)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyJOLVUDMKEXQRKT-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-ethylbenzimidazol-2-yl)-phenylmethanone?
The IUPAC name of (1-ethylbenzimidazol-2-yl)-phenylmethanone (CID 67579558) is (1-ethylbenzimidazol-2-yl)-phenylmethanone.
What is the SMILES notation for (1-ethylbenzimidazol-2-yl)-phenylmethanone?
The canonical SMILES for (1-ethylbenzimidazol-2-yl)-phenylmethanone is CCn1c(C(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of (1-ethylbenzimidazol-2-yl)-phenylmethanone?
The InChIKey is JOLVUDMKEXQRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-18-14-11-7-6-10-13(14)17-16(18)15(19)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of (1-ethylbenzimidazol-2-yl)-phenylmethanone?
(1-ethylbenzimidazol-2-yl)-phenylmethanone 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-ethylbenzimidazol-2-yl)-phenylmethanone is sourced from PubChem (CID 67579558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).