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

C26H26N4O — CID 86272645

IUPAC2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2cccc(-c3ccncc3)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C26H26N4O/c27-25-29-26(21-9-3-1-4-10-21,24(31)30(25)23-12-5-2-6-13-23)22-11-7-8-20(18-22)19-14-16-28-17-15-19/h1,3-4,7-11,14-18,23H,2,5-6,12-13H2,(H2,27,29)
InChIKeyPELJWIRYZWWWKO-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.48
Rot. Bonds4

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

2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one (PubChem CID 86272645) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one
PubChem CID86272645
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2cccc(-c3ccncc3)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C26H26N4O/c27-25-29-26(21-9-3-1-4-10-21,24(31)30(25)23-12-5-2-6-13-23)22-11-7-8-20(18-22)19-14-16-28-17-15-19/h1,3-4,7-11,14-18,23H,2,5-6,12-13H2,(H2,27,29)
InChIKeyPELJWIRYZWWWKO-UHFFFAOYSA-N
XLogP4.48
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amg-548
CID 11167112
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
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
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
(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one (CID 86272645) is 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one is NC1=NC(c2ccccc2)(c2cccc(-c3ccncc3)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
The InChIKey is PELJWIRYZWWWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c27-25-29-26(21-9-3-1-4-10-21,24(31)30(25)23-12-5-2-6-13-23)22-11-7-8-20(18-22)19-14-16-28-17-15-19/h1,3-4,7-11,14-18,23H,2,5-6,12-13H2,(H2,27,29).
What are the key properties of 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one has a molecular weight of 410.52 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one is sourced from PubChem (CID 86272645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).