1-methyl-3-(2-phenylethyl)benzimidazol-2-one

C16H16N2O — CID 2989507

IUPAC1-methyl-3-(2-phenylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O/c1-17-14-9-5-6-10-15(14)18(16(17)19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyJLKDHMCVBKJERF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.58
Rot. Bonds3

About 1-methyl-3-(2-phenylethyl)benzimidazol-2-one

1-methyl-3-(2-phenylethyl)benzimidazol-2-one (PubChem CID 2989507) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)benzimidazol-2-one
PubChem CID2989507
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-methyl-3-(2-phenylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O/c1-17-14-9-5-6-10-15(14)18(16(17)19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyJLKDHMCVBKJERF-UHFFFAOYSA-N
XLogP2.58
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(2-phenylethyl)benzimidazol-2-one (CID 2989507) is 1-methyl-3-(2-phenylethyl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)benzimidazol-2-one is Cn1c(=O)n(CCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)benzimidazol-2-one?
The InChIKey is JLKDHMCVBKJERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-17-14-9-5-6-10-15(14)18(16(17)19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 1-methyl-3-(2-phenylethyl)benzimidazol-2-one?
1-methyl-3-(2-phenylethyl)benzimidazol-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)benzimidazol-2-one is sourced from PubChem (CID 2989507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).