6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

C15H15N3O — CID 164822523

IUPAC6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3ccccc3)cnc21
InChIInChI=1S/C15H15N3O/c1-10(2)18-14-13(17-15(18)19)8-12(9-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,19)
InChIKeyIHEVVFDMICNPGI-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.97
Rot. Bonds2

About 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 164822523) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID164822523
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3ccccc3)cnc21
InChIInChI=1S/C15H15N3O/c1-10(2)18-14-13(17-15(18)19)8-12(9-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,19)
InChIKeyIHEVVFDMICNPGI-UHFFFAOYSA-N
XLogP2.97
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (CID 164822523) is 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is CC(C)n1c(=O)[nH]c2cc(-c3ccccc3)cnc21.
What is the InChIKey of 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IHEVVFDMICNPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10(2)18-14-13(17-15(18)19)8-12(9-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,19).
What are the key properties of 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 164822523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).