3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one

C16H14ClN3O — CID 10040414

IUPAC3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H14ClN3O/c1-11-15(19-10-18-11)9-20-7-3-6-14(16(20)21)12-4-2-5-13(17)8-12/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyCRIUDWQMYHIMIW-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.25
Rot. Bonds3

About 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one

3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (PubChem CID 10040414) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
PubChem CID10040414
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H14ClN3O/c1-11-15(19-10-18-11)9-20-7-3-6-14(16(20)21)12-4-2-5-13(17)8-12/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyCRIUDWQMYHIMIW-UHFFFAOYSA-N
XLogP3.25
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (CID 10040414) is 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is Cc1[nH]cnc1Cn1cccc(-c2cccc(Cl)c2)c1=O.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The InChIKey is CRIUDWQMYHIMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-15(19-10-18-11)9-20-7-3-6-14(16(20)21)12-4-2-5-13(17)8-12/h2-8,10H,9H2,1H3,(H,18,19).
What are the key properties of 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 10040414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).