2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one

C66H51F12N15O6 — CID 161117293

IUPAC2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F.COc1ccc([C@@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F.COc1ccc([C@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F
InChIInChI=1S/3C22H17F4N5O2/c3*1-31-19(32)21(30-20(31)27,14-4-6-18(33-2)16(8-14)22(24,25)26)13-3-5-17(23)15(7-13)12-9-28-11-29-10-12/h3*3-11H,1-2H3,(H2,27,30)/t2*21-;/m10./s1
InChIKeyUKMFZXLZGLPKSU-ZACMMHJFSA-N
MW1378.21 g/mol
LogP10.02
Rot. Bonds12

About 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one

2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one (PubChem CID 161117293) has the molecular formula C66H51F12N15O6 and a molecular weight of 1378.21 g/mol. Its IUPAC name is 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one
PubChem CID161117293
Molecular FormulaC66H51F12N15O6
Molecular Weight1378.21 g/mol
Exact Mass1377.40
IUPAC Name2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F.COc1ccc([C@@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F.COc1ccc([C@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F
InChIInChI=1S/3C22H17F4N5O2/c3*1-31-19(32)21(30-20(31)27,14-4-6-18(33-2)16(8-14)22(24,25)26)13-3-5-17(23)15(7-13)12-9-28-11-29-10-12/h3*3-11H,1-2H3,(H2,27,30)/t2*21-;/m10./s1
InChIKeyUKMFZXLZGLPKSU-ZACMMHJFSA-N
XLogP10.02
TPSA281.10 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.21
LogP ≤ 510.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-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

(5r)-2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one
CID 11539562
2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 11517020
2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyrimidin-5-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11668187
2-Amino-13'-methoxy-3,12'-dimethyl-5'-pyrimidin-5-ylspiro[imidazole-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-4-one
CID 16725801
2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
CID 45488120
2-amino-4-(3-fluoro-5-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one
CID 45488107
2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 53325758
(S)-2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one
CID 45488106
2-Amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 138468766
US11142505, Fah-65
CID 160617790
2-amino-4-(2-fluoro-3-(pyrimidin-5-yl)phenyl)-1-methyl-4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-5(4H)-one
CID 45488110
(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11689592

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one (CID 161117293) is 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one is COc1ccc(C2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F.COc1ccc([C@@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F.COc1ccc([C@]2(c3ccc(F)c(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C(F)(F)F.
What is the InChIKey of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is UKMFZXLZGLPKSU-ZACMMHJFSA-N. The full InChI is InChI=1S/3C22H17F4N5O2/c3*1-31-19(32)21(30-20(31)27,14-4-6-18(33-2)16(8-14)22(24,25)26)13-3-5-17(23)15(7-13)12-9-28-11-29-10-12/h3*3-11H,1-2H3,(H2,27,30)/t2*21-;/m10./s1.
What are the key properties of 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 1378.21 g/mol, XLogP of 10.02, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 161117293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).