5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one

C32H44FN5O — CID 143130067

IUPAC5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one
SMILESCc1c(-c2ccnc(NC3CCC(C4CCCCCCCC4)CC3)n2)n(-c2ccc(F)cc2)c(=O)n1C(C)C
InChIInChI=1S/C32H44FN5O/c1-22(2)37-23(3)30(38(32(37)39)28-18-14-26(33)15-19-28)29-20-21-34-31(36-29)35-27-16-12-25(13-17-27)24-10-8-6-4-5-7-9-11-24/h14-15,18-22,24-25,27H,4-13,16-17H2,1-3H3,(H,34,35,36)
InChIKeyYCZIAKJRZAQSLG-UHFFFAOYSA-N
MW533.74 g/mol
LogP7.85
Rot. Bonds6

About 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one

5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one (PubChem CID 143130067) has the molecular formula C32H44FN5O and a molecular weight of 533.74 g/mol. Its IUPAC name is 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one
PubChem CID143130067
Molecular FormulaC32H44FN5O
Molecular Weight533.74 g/mol
Exact Mass533.35
IUPAC Name5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one
SMILESCc1c(-c2ccnc(NC3CCC(C4CCCCCCCC4)CC3)n2)n(-c2ccc(F)cc2)c(=O)n1C(C)C
InChIInChI=1S/C32H44FN5O/c1-22(2)37-23(3)30(38(32(37)39)28-18-14-26(33)15-19-28)29-20-21-34-31(36-29)35-27-16-12-25(13-17-27)24-10-8-6-4-5-7-9-11-24/h14-15,18-22,24-25,27H,4-13,16-17H2,1-3H3,(H,34,35,36)
InChIKeyYCZIAKJRZAQSLG-UHFFFAOYSA-N
XLogP7.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.74
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one
CID 11671228
1-cyclobutyl-3-(4-fluorophenyl)-4-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]imidazol-2-one
CID 11432284
5-chloro-4-[2-[(4-cycloheptylcyclohexyl)amino]pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)-3-(3-methylphenyl)imidazol-2-one
CID 143130037
4-[2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]pyrimidin-4-yl]-3-(4-fluorophenyl)-1-propan-2-ylimidazol-2-one
CID 11497869
3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one
CID 58942348
1-cyclobutyl-3-(4-fluorophenyl)-4-[2-[(4-pyrrolidin-1-ylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;dihydrochloride
CID 11599224
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-[[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
3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;hydrochloride
CID 11534169
4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68556119
N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 24866855

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one?
The IUPAC name of 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one (CID 143130067) is 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one is Cc1c(-c2ccnc(NC3CCC(C4CCCCCCCC4)CC3)n2)n(-c2ccc(F)cc2)c(=O)n1C(C)C.
What is the InChIKey of 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one?
The InChIKey is YCZIAKJRZAQSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44FN5O/c1-22(2)37-23(3)30(38(32(37)39)28-18-14-26(33)15-19-28)29-20-21-34-31(36-29)35-27-16-12-25(13-17-27)24-10-8-6-4-5-7-9-11-24/h14-15,18-22,24-25,27H,4-13,16-17H2,1-3H3,(H,34,35,36).
What are the key properties of 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one?
5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one has a molecular weight of 533.74 g/mol, XLogP of 7.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 143130067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).