3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one

C25H30ClN5O3 — CID 11443090

IUPAC3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one
SMILESCC1(O)CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C25H30ClN5O3/c1-25(33)11-6-18(7-12-25)28-23-27-13-8-21(29-23)22-16-30(19-9-14-34-15-10-19)24(32)31(22)20-4-2-17(26)3-5-20/h2-5,8,13,16,18-19,33H,6-7,9-12,14-15H2,1H3,(H,27,28,29)
InChIKeyFNKLHEHVPWSXTC-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.21
Rot. Bonds5

About 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one

3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one (PubChem CID 11443090) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one
PubChem CID11443090
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one
SMILESCC1(O)CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C25H30ClN5O3/c1-25(33)11-6-18(7-12-25)28-23-27-13-8-21(29-23)22-16-30(19-9-14-34-15-10-19)24(32)31(22)20-4-2-17(26)3-5-20/h2-5,8,13,16,18-19,33H,6-7,9-12,14-15H2,1H3,(H,27,28,29)
InChIKeyFNKLHEHVPWSXTC-UHFFFAOYSA-N
XLogP4.21
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;hydrochloride
CID 11534169
3-[4-[[4-[3-(4-fluorophenyl)-1-(oxan-4-yl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
CID 11656968
3-(3-methylphenyl)-1-(oxan-4-yl)-4-[2-[[4-(2-oxopyrrolidin-1-yl)cyclohexyl]amino]pyrimidin-4-yl]imidazol-2-one
CID 11706672
1-cyclobutyl-3-(4-fluorophenyl)-4-[2-[(4-pyrrolidin-1-ylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;dihydrochloride
CID 11599224
1-cyclobutyl-3-(4-fluorophenyl)-4-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]imidazol-2-one
CID 11432284
4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]amino]pyrimidin-4-yl]-3-(3-methylphenyl)-1-(oxan-4-yl)imidazol-2-one;hydrochloride
CID 11642794
3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one
CID 11671228
1-(1,1-dioxothian-4-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
CID 58942287
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
CID 59593244
3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
CID 11512093
3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one
CID 58942348
4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 166300698

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one (CID 11443090) is 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one is CC1(O)CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one?
The InChIKey is FNKLHEHVPWSXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-25(33)11-6-18(7-12-25)28-23-27-13-8-21(29-23)22-16-30(19-9-14-34-15-10-19)24(32)31(22)20-4-2-17(26)3-5-20/h2-5,8,13,16,18-19,33H,6-7,9-12,14-15H2,1H3,(H,27,28,29).
What are the key properties of 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one?
3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one has a molecular weight of 484.00 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[2-[(4-hydroxy-4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one is sourced from PubChem (CID 11443090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).