1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one

C14H13N3O — CID 70318245

IUPAC1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1CCc1ccccc1
InChIInChI=1S/C14H13N3O/c18-14-16-12-10-15-8-6-13(12)17(14)9-7-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,18)
InChIKeyZTYWDOVTTODVJC-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.97
Rot. Bonds3

About 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one

1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 70318245) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID70318245
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1CCc1ccccc1
InChIInChI=1S/C14H13N3O/c18-14-16-12-10-15-8-6-13(12)17(14)9-7-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,18)
InChIKeyZTYWDOVTTODVJC-UHFFFAOYSA-N
XLogP1.97
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 70318245) is 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2cnccc2n1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZTYWDOVTTODVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14-16-12-10-15-8-6-13(12)17(14)9-7-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,18).
What are the key properties of 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one?
1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 239.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 70318245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).