2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one

C21H17ClN4O — CID 59262417

IUPAC2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(Cl)c3)c2)N=C1N
InChIInChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h2-13H,1H3,(H2,23,25)
InChIKeyWCLBHPJZARGGNQ-UHFFFAOYSA-N
MW376.85 g/mol
LogP3.43
Rot. Bonds3

About 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 59262417) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID59262417
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(Cl)c3)c2)N=C1N
InChIInChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h2-13H,1H3,(H2,23,25)
InChIKeyWCLBHPJZARGGNQ-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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Related Compounds

(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 46830239
(2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One
CID 57404339
(2e,5r)-5-[3-(5-Chloropyridin-3-Yl)phenyl]-5-Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One
CID 59388465
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 49819085
2'-Amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 53493353
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 11185491
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
2-Amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11544998
5-(3-(5-Chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4one
CID 11566309
2-Amino-5-cyclopropyl-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 11609507
2-Amino-5-(2',5'-difluoro-1,1'-biphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 11990754

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 59262417) is 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(Cl)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is WCLBHPJZARGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-26-19(27)21(25-20(26)23,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-18(22)13-24-12-15/h2-13H,1H3,(H2,23,25).
What are the key properties of 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-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-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 59262417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).