3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one

C16H16N2O2 — CID 117209083

IUPAC3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cccc(C)c32)cc1
InChIInChI=1S/C16H16N2O2/c1-11-4-3-5-14-15(11)18(16(19)17-14)10-12-6-8-13(20-2)9-7-12/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyDCJWHQSRDXLIIR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.69
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one

3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one (PubChem CID 117209083) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
PubChem CID117209083
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cccc(C)c32)cc1
InChIInChI=1S/C16H16N2O2/c1-11-4-3-5-14-15(11)18(16(19)17-14)10-12-6-8-13(20-2)9-7-12/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyDCJWHQSRDXLIIR-UHFFFAOYSA-N
XLogP2.69
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one (CID 117209083) is 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one is COc1ccc(Cn2c(=O)[nH]c3cccc(C)c32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
The InChIKey is DCJWHQSRDXLIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-4-3-5-14-15(11)18(16(19)17-14)10-12-6-8-13(20-2)9-7-12/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one?
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117209083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).