3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one

C21H17FN2O — CID 18008032

IUPAC3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one
SMILESO=C1N=C2C=CC=CN2C1(Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C21H17FN2O/c22-18-11-9-17(10-12-18)15-21(14-16-6-2-1-3-7-16)20(25)23-19-8-4-5-13-24(19)21/h1-13H,14-15H2
InChIKeyPMOJOKOUXSGLRB-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.67
Rot. Bonds4

About 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one

3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one (PubChem CID 18008032) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one
PubChem CID18008032
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one
SMILESO=C1N=C2C=CC=CN2C1(Cc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C21H17FN2O/c22-18-11-9-17(10-12-18)15-21(14-16-6-2-1-3-7-16)20(25)23-19-8-4-5-13-24(19)21/h1-13H,14-15H2
InChIKeyPMOJOKOUXSGLRB-UHFFFAOYSA-N
XLogP3.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one?
The IUPAC name of 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one (CID 18008032) is 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one is O=C1N=C2C=CC=CN2C1(Cc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one?
The InChIKey is PMOJOKOUXSGLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-18-11-9-17(10-12-18)15-21(14-16-6-2-1-3-7-16)20(25)23-19-8-4-5-13-24(19)21/h1-13H,14-15H2.
What are the key properties of 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one?
3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one has a molecular weight of 332.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 18008032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).