6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one

C17H19N3O2 — CID 155295432

IUPAC6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2ncc(-c3ccc(CO)cc3)cc21
InChIInChI=1S/C17H19N3O2/c1-11(2)9-20-15-7-14(8-18-16(15)19-17(20)22)13-5-3-12(10-21)4-6-13/h3-8,11,21H,9-10H2,1-2H3,(H,18,19,22)
InChIKeyVVEOFVHECFIQSJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds4

About 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one

6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 155295432) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID155295432
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2ncc(-c3ccc(CO)cc3)cc21
InChIInChI=1S/C17H19N3O2/c1-11(2)9-20-15-7-14(8-18-16(15)19-17(20)22)13-5-3-12(10-21)4-6-13/h3-8,11,21H,9-10H2,1-2H3,(H,18,19,22)
InChIKeyVVEOFVHECFIQSJ-UHFFFAOYSA-N
XLogP2.54
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 155295432) is 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one is CC(C)Cn1c(=O)[nH]c2ncc(-c3ccc(CO)cc3)cc21.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VVEOFVHECFIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(2)9-20-15-7-14(8-18-16(15)19-17(20)22)13-5-3-12(10-21)4-6-13/h3-8,11,21H,9-10H2,1-2H3,(H,18,19,22).
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 155295432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).