3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one

C106H139ClF4N20O9 — CID 162086154

IUPAC3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one
SMILESC.C.C.C.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(C(F)(F)F)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(Cl)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(F)c3)n2)CC1.COc1cccc(-n2c(-c3ccnc(NC4CCC(C)CC4)n3)cn(C3CCOCC3)c2=O)c1
InChIInChI=1S/C26H30F3N5O2.C26H33N5O3.C25H30ClN5O2.C25H30FN5O2.4CH4/c1-17-5-7-19(8-6-17)31-24-30-12-9-22(32-24)23-16-33(20-10-13-36-14-11-20)25(35)34(23)21-4-2-3-18(15-21)26(27,28)29;1-18-6-8-19(9-7-18)28-25-27-13-10-23(29-25)24-17-30(20-11-14-34-15-12-20)26(32)31(24)21-4-3-5-22(16-21)33-2;2*1-17-5-7-19(8-6-17)28-24-27-12-9-22(29-24)23-16-30(20-10-13-33-14-11-20)25(32)31(23)21-4-2-3-18(26)15-21;;;;/h2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,30,31,32);3-5,10,13,16-20H,6-9,11-12,14-15H2,1-2H3,(H,27,28,29);2*2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,27,28,29);4*1H4
InChIKeyZCZGDWBBKSGLBM-UHFFFAOYSA-N
MW1948.85 g/mol
LogP22.12
Rot. Bonds21

About 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one

3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one (PubChem CID 162086154) has the molecular formula C106H139ClF4N20O9 and a molecular weight of 1948.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one
PubChem CID162086154
Molecular FormulaC106H139ClF4N20O9
Molecular Weight1948.85 g/mol
Exact Mass1947.07
IUPAC Name3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one
SMILESC.C.C.C.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(C(F)(F)F)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(Cl)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(F)c3)n2)CC1.COc1cccc(-n2c(-c3ccnc(NC4CCC(C)CC4)n3)cn(C3CCOCC3)c2=O)c1
InChIInChI=1S/C26H30F3N5O2.C26H33N5O3.C25H30ClN5O2.C25H30FN5O2.4CH4/c1-17-5-7-19(8-6-17)31-24-30-12-9-22(32-24)23-16-33(20-10-13-36-14-11-20)25(35)34(23)21-4-2-3-18(15-21)26(27,28)29;1-18-6-8-19(9-7-18)28-25-27-13-10-23(29-25)24-17-30(20-11-14-34-15-12-20)26(32)31(24)21-4-3-5-22(16-21)33-2;2*1-17-5-7-19(8-6-17)28-24-27-12-9-22(29-24)23-16-30(20-10-13-33-14-11-20)25(32)31(23)21-4-2-3-18(26)15-21;;;;/h2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,30,31,32);3-5,10,13,16-20H,6-9,11-12,14-15H2,1-2H3,(H,27,28,29);2*2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,27,28,29);4*1H4
InChIKeyZCZGDWBBKSGLBM-UHFFFAOYSA-N
XLogP22.12
TPSA305.11 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.85
LogP ≤ 522.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one (CID 162086154) is 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one is C.C.C.C.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(C(F)(F)F)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(Cl)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(F)c3)n2)CC1.COc1cccc(-n2c(-c3ccnc(NC4CCC(C)CC4)n3)cn(C3CCOCC3)c2=O)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one?
The InChIKey is ZCZGDWBBKSGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O2.C26H33N5O3.C25H30ClN5O2.C25H30FN5O2.4CH4/c1-17-5-7-19(8-6-17)31-24-30-12-9-22(32-24)23-16-33(20-10-13-36-14-11-20)25(35)34(23)21-4-2-3-18(15-21)26(27,28)29;1-18-6-8-19(9-7-18)28-25-27-13-10-23(29-25)24-17-30(20-11-14-34-15-12-20)26(32)31(24)21-4-3-5-22(16-21)33-2;2*1-17-5-7-19(8-6-17)28-24-27-12-9-22(29-24)23-16-30(20-10-13-33-14-11-20)25(32)31(23)21-4-2-3-18(26)15-21;;;;/h2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,30,31,32);3-5,10,13,16-20H,6-9,11-12,14-15H2,1-2H3,(H,27,28,29);2*2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,27,28,29);4*1H4.
What are the key properties of 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one?
3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one has a molecular weight of 1948.85 g/mol, XLogP of 22.12, 21 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one is sourced from PubChem (CID 162086154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).