2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one

C25H23ClN4O — CID 59262533

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C25H23ClN4O/c26-22-8-2-6-19(15-22)18-5-1-7-21(14-18)25(20-9-10-20)23(31)30(24(27)29-25)13-11-17-4-3-12-28-16-17/h1-8,12,14-16,20H,9-11,13H2,(H2,27,29)
InChIKeyKUHKCTJFRWEOBV-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.41
Rot. Bonds6

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one (PubChem CID 59262533) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one
PubChem CID59262533
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1cccnc1
InChIInChI=1S/C25H23ClN4O/c26-22-8-2-6-19(15-22)18-5-1-7-21(14-18)25(20-9-10-20)23(31)30(24(27)29-25)13-11-17-4-3-12-28-16-17/h1-8,12,14-16,20H,9-11,13H2,(H2,27,29)
InChIKeyKUHKCTJFRWEOBV-UHFFFAOYSA-N
XLogP4.41
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.41
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
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
rac-2-amino-1-methyl-4-(2-methylpyridin-4-yl)-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 15950595

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one (CID 59262533) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1cccnc1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one?
The InChIKey is KUHKCTJFRWEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-22-8-2-6-19(15-22)18-5-1-7-21(14-18)25(20-9-10-20)23(31)30(24(27)29-25)13-11-17-4-3-12-28-16-17/h1-8,12,14-16,20H,9-11,13H2,(H2,27,29).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one has a molecular weight of 430.94 g/mol, XLogP of 4.41, 6 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]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one is sourced from PubChem (CID 59262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).