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

C27H28N4O2 — CID 86272415

IUPAC2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3cccc(-c4ccncc4)c3)N=C(N)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C27H28N4O2/c1-33-24-12-10-21(11-13-24)27(22-7-5-6-20(18-22)19-14-16-29-17-15-19)25(32)31(26(28)30-27)23-8-3-2-4-9-23/h5-7,10-18,23H,2-4,8-9H2,1H3,(H2,28,30)
InChIKeyJUSAPDYXTPPXTB-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.49
Rot. Bonds5

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

2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one (PubChem CID 86272415) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one
PubChem CID86272415
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3cccc(-c4ccncc4)c3)N=C(N)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C27H28N4O2/c1-33-24-12-10-21(11-13-24)27(22-7-5-6-20(18-22)19-14-16-29-17-15-19)25(32)31(26(28)30-27)23-8-3-2-4-9-23/h5-7,10-18,23H,2-4,8-9H2,1H3,(H2,28,30)
InChIKeyJUSAPDYXTPPXTB-UHFFFAOYSA-N
XLogP4.49
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
CID 86273116
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol
CID 143463779
2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 25063366
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cyclopentyl-5-cyclopropylimidazol-4-one
CID 59388528
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 16750245
3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
CID 86273841
3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873271
6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol
CID 24873151
[4-[(4S)-2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]phenyl] methanesulfonate
CID 87682940
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 46830239
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one (CID 86272415) is 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one is COc1ccc(C2(c3cccc(-c4ccncc4)c3)N=C(N)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
The InChIKey is JUSAPDYXTPPXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-33-24-12-10-21(11-13-24)27(22-7-5-6-20(18-22)19-14-16-29-17-15-19)25(32)31(26(28)30-27)23-8-3-2-4-9-23/h5-7,10-18,23H,2-4,8-9H2,1H3,(H2,28,30).
What are the key properties of 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one?
2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one has a molecular weight of 440.55 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-5-(4-methoxyphenyl)-5-(3-pyridin-4-ylphenyl)imidazol-4-one is sourced from PubChem (CID 86272415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).