(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone

C17H14N2O — CID 23116964

IUPAC(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone
SMILESC=Cn1c(C(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H14N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h3-11H,1H2,2H3
InChIKeySRMLPTZJKCQDDR-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.68
Rot. Bonds3

About (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone

(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone (PubChem CID 23116964) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone
PubChem CID23116964
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone
SMILESC=Cn1c(C(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H14N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h3-11H,1H2,2H3
InChIKeySRMLPTZJKCQDDR-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone (CID 23116964) is (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone is C=Cn1c(C(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone?
The InChIKey is SRMLPTZJKCQDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h3-11H,1H2,2H3.
What are the key properties of (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone?
(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone has a molecular weight of 262.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 23116964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).