6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one

C15H12ClN3O — CID 178078686

IUPAC6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one
SMILESO=c1[nH]c(Cn2ccnc2Cl)ccc1-c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-15-17-8-9-19(15)10-12-6-7-13(14(20)18-12)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)
InChIKeyTZZHMMAGHSTOSQ-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.94
Rot. Bonds3

About 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one

6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one (PubChem CID 178078686) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one
PubChem CID178078686
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one
SMILESO=c1[nH]c(Cn2ccnc2Cl)ccc1-c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-15-17-8-9-19(15)10-12-6-7-13(14(20)18-12)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20)
InChIKeyTZZHMMAGHSTOSQ-UHFFFAOYSA-N
XLogP2.94
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one?
The IUPAC name of 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one (CID 178078686) is 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one is O=c1[nH]c(Cn2ccnc2Cl)ccc1-c1ccccc1.
What is the InChIKey of 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one?
The InChIKey is TZZHMMAGHSTOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-15-17-8-9-19(15)10-12-6-7-13(14(20)18-12)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20).
What are the key properties of 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one?
6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one has a molecular weight of 285.73 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 178078686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).