1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one

C21H19N3O2 — CID 75519202

IUPAC1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2ccccc2)c2ccncc2n1Cc1ccc(CO)cc1
InChIInChI=1S/C21H19N3O2/c25-15-18-8-6-17(7-9-18)14-24-20-12-22-11-10-19(20)23(21(24)26)13-16-4-2-1-3-5-16/h1-12,25H,13-15H2
InChIKeyARRGDSXJTBDFMK-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.79
Rot. Bonds5

About 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one

1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 75519202) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID75519202
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2ccccc2)c2ccncc2n1Cc1ccc(CO)cc1
InChIInChI=1S/C21H19N3O2/c25-15-18-8-6-17(7-9-18)14-24-20-12-22-11-10-19(20)23(21(24)26)13-16-4-2-1-3-5-16/h1-12,25H,13-15H2
InChIKeyARRGDSXJTBDFMK-UHFFFAOYSA-N
XLogP2.79
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one (CID 75519202) is 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2ccccc2)c2ccncc2n1Cc1ccc(CO)cc1.
What is the InChIKey of 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is ARRGDSXJTBDFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-15-18-8-6-17(7-9-18)14-24-20-12-22-11-10-19(20)23(21(24)26)13-16-4-2-1-3-5-16/h1-12,25H,13-15H2.
What are the key properties of 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one?
1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 345.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(hydroxymethyl)phenyl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 75519202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).