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

C14H13N3O2 — CID 56950864

IUPAC6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(CO)c3)cc21
InChIInChI=1S/C14H13N3O2/c1-17-12-6-11(7-15-13(12)16-14(17)19)10-4-2-3-9(5-10)8-18/h2-7,18H,8H2,1H3,(H,15,16,19)
InChIKeyCIUALUXMIHDXDG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.42
Rot. Bonds2

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

6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 56950864) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID56950864
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(CO)c3)cc21
InChIInChI=1S/C14H13N3O2/c1-17-12-6-11(7-15-13(12)16-14(17)19)10-4-2-3-9(5-10)8-18/h2-7,18H,8H2,1H3,(H,15,16,19)
InChIKeyCIUALUXMIHDXDG-UHFFFAOYSA-N
XLogP1.42
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (CID 56950864) is 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is Cn1c(=O)[nH]c2ncc(-c3cccc(CO)c3)cc21.
What is the InChIKey of 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is CIUALUXMIHDXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17-12-6-11(7-15-13(12)16-14(17)19)10-4-2-3-9(5-10)8-18/h2-7,18H,8H2,1H3,(H,15,16,19).
What are the key properties of 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 56950864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).