3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one

C24H30FN5O2 — CID 58942348

IUPAC3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one
SMILESCOCC(C)n1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H30FN5O2/c1-16-4-8-19(9-5-16)27-23-26-13-12-21(28-23)22-14-29(17(2)15-32-3)24(31)30(22)20-10-6-18(25)7-11-20/h6-7,10-14,16-17,19H,4-5,8-9,15H2,1-3H3,(H,26,27,28)
InChIKeyZPPAIALXEPYIOB-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.43
Rot. Bonds7

About 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one

3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one (PubChem CID 58942348) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one
PubChem CID58942348
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one
SMILESCOCC(C)n1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H30FN5O2/c1-16-4-8-19(9-5-16)27-23-26-13-12-21(28-23)22-14-29(17(2)15-32-3)24(31)30(22)20-10-6-18(25)7-11-20/h6-7,10-14,16-17,19H,4-5,8-9,15H2,1-3H3,(H,26,27,28)
InChIKeyZPPAIALXEPYIOB-UHFFFAOYSA-N
XLogP4.43
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one
CID 11671228
4-[2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]pyrimidin-4-yl]-3-(4-fluorophenyl)-1-propan-2-ylimidazol-2-one
CID 11497869
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-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one
CID 11642342
6-chloro-3-[[[4-[[4-[3-(4-fluorophenyl)-2-oxo-1-propan-2-ylimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]methyl]-2-oxohexanal
CID 163502288
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-[[1-(2,3-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]pyrimidin-4-yl]-3-(4-fluorophenyl)-1-propan-2-ylimidazol-2-one;hydrochloride
CID 11556138
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
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
CID 59593244
1-(ethoxymethyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-3-(3-methylphenyl)imidazol-2-one
CID 58942275

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one (CID 58942348) is 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one is COCC(C)n1cc(-c2ccnc(NC3CCC(C)CC3)n2)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one?
The InChIKey is ZPPAIALXEPYIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-16-4-8-19(9-5-16)27-23-26-13-12-21(28-23)22-14-29(17(2)15-32-3)24(31)30(22)20-10-6-18(25)7-11-20/h6-7,10-14,16-17,19H,4-5,8-9,15H2,1-3H3,(H,26,27,28).
What are the key properties of 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one?
3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one has a molecular weight of 439.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one is sourced from PubChem (CID 58942348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).