6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one

C16H14ClN3O — CID 70804764

IUPAC6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one
SMILESCc1nc(-c2cccc(Cl)c2)cn1-c1cccc(=O)n1C
InChIInChI=1S/C16H14ClN3O/c1-11-18-14(12-5-3-6-13(17)9-12)10-20(11)15-7-4-8-16(21)19(15)2/h3-10H,1-2H3
InChIKeyFKKQOWTZBRROFH-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.20
Rot. Bonds2

About 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one

6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one (PubChem CID 70804764) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one
PubChem CID70804764
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one
SMILESCc1nc(-c2cccc(Cl)c2)cn1-c1cccc(=O)n1C
InChIInChI=1S/C16H14ClN3O/c1-11-18-14(12-5-3-6-13(17)9-12)10-20(11)15-7-4-8-16(21)19(15)2/h3-10H,1-2H3
InChIKeyFKKQOWTZBRROFH-UHFFFAOYSA-N
XLogP3.20
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one?
The IUPAC name of 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one (CID 70804764) is 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one is Cc1nc(-c2cccc(Cl)c2)cn1-c1cccc(=O)n1C.
What is the InChIKey of 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one?
The InChIKey is FKKQOWTZBRROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-18-14(12-5-3-6-13(17)9-12)10-20(11)15-7-4-8-16(21)19(15)2/h3-10H,1-2H3.
What are the key properties of 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one?
6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 70804764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).