2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one

C21H17ClN4O — CID 59262424

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2cccnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,17-8-4-10-24-13-17)16-7-2-5-14(11-16)15-6-3-9-18(22)12-15/h2-13H,1H3,(H2,23,25)
InChIKeyPNFYDRRJPSSMRN-UHFFFAOYSA-N
MW376.85 g/mol
LogP3.43
Rot. Bonds3

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one (PubChem CID 59262424) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one
PubChem CID59262424
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2cccnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,17-8-4-10-24-13-17)16-7-2-5-14(11-16)15-6-3-9-18(22)12-15/h2-13H,1H3,(H2,23,25)
InChIKeyPNFYDRRJPSSMRN-UHFFFAOYSA-N
XLogP3.43
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one (CID 59262424) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one is CN1C(=O)C(c2cccnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one?
The InChIKey is PNFYDRRJPSSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,17-8-4-10-24-13-17)16-7-2-5-14(11-16)15-6-3-9-18(22)12-15/h2-13H,1H3,(H2,23,25).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one has a molecular weight of 376.85 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one is sourced from PubChem (CID 59262424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).