1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C18H18N2O — CID 4754542

IUPAC1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(2)20-17-11-7-6-10-16(17)19(18(20)21)12-15-9-5-4-8-14(15)3/h4-11H,1,12H2,2-3H3
InChIKeyGFPQLUUZCWNZOM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.65
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 4754542) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID4754542
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(2)20-17-11-7-6-10-16(17)19(18(20)21)12-15-9-5-4-8-14(15)3/h4-11H,1,12H2,2-3H3
InChIKeyGFPQLUUZCWNZOM-UHFFFAOYSA-N
XLogP3.65
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 4754542) is 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(Cc2ccccc2C)c2ccccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is GFPQLUUZCWNZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)20-17-11-7-6-10-16(17)19(18(20)21)12-15-9-5-4-8-14(15)3/h4-11H,1,12H2,2-3H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 4754542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).