(5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C21H18N4O — CID 70685236

IUPAC(5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1
InChIKeyPNSQCPQDRVOKMA-OAQYLSRUSA-N
MW342.40 g/mol
LogP2.78
Rot. Bonds3

About (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

(5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 70685236) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID70685236
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name(5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCN1C(=O)[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1
InChIKeyPNSQCPQDRVOKMA-OAQYLSRUSA-N
XLogP2.78
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Difenpiramide
CID 100472
Amg-548
CID 11167112
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
N-[(1r,3s)-3-{[(2e,4r)-4-(2-Cyclohexylethyl)-2-Imino-1-Methyl-5-Oxoimidazolidin-4-Yl]methyl}cyclohexyl]pyridine-4-Carboxamide
CID 11582999
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
(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
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 71455083
3-[(S)-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(1S)-1-phenylethyl]benzamide
CID 168278326

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 70685236) is (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is CN1C(=O)[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N.
What is the InChIKey of (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is PNSQCPQDRVOKMA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)/t21-/m1/s1.
What are the key properties of (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
(5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 342.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 70685236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).