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

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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).