2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one

C22H15ClF4N4O2 — CID 11576568

IUPAC2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)c(Cl)c2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C22H15ClF4N4O2/c1-31-19(32)21(30-20(31)28,14-5-7-18(16(23)10-14)33-22(25,26)27)13-4-6-17(24)15(9-13)12-3-2-8-29-11-12/h2-11H,1H3,(H2,28,30)
InChIKeyJJTSPKAOJDSVDK-UHFFFAOYSA-N
MW478.83 g/mol
LogP4.47
Rot. Bonds4

About 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one

2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one (PubChem CID 11576568) has the molecular formula C22H15ClF4N4O2 and a molecular weight of 478.83 g/mol. Its IUPAC name is 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one
PubChem CID11576568
Molecular FormulaC22H15ClF4N4O2
Molecular Weight478.83 g/mol
Exact Mass478.08
IUPAC Name2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)c(Cl)c2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C22H15ClF4N4O2/c1-31-19(32)21(30-20(31)28,14-5-7-18(16(23)10-14)33-22(25,26)27)13-4-6-17(24)15(9-13)12-3-2-8-29-11-12/h2-11H,1H3,(H2,28,30)
InChIKeyJJTSPKAOJDSVDK-UHFFFAOYSA-N
XLogP4.47
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11539562
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CID 11516577
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CID 11532248
CID 11532248
CID 11538592
CID 11538592
CID 11545958
CID 11545958
CID 11553983
CID 11553983
CID 11632510
CID 11632510
CID 11639859
CID 11639859
CID 15951486
CID 15951486
CID 44631933
CID 44631933
CID 45488105
CID 45488105
CID 45488111
CID 45488111

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one (CID 11576568) is 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(OC(F)(F)F)c(Cl)c2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one?
The InChIKey is JJTSPKAOJDSVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N4O2/c1-31-19(32)21(30-20(31)28,14-5-7-18(16(23)10-14)33-22(25,26)27)13-4-6-17(24)15(9-13)12-3-2-8-29-11-12/h2-11H,1H3,(H2,28,30).
What are the key properties of 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one?
2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one has a molecular weight of 478.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 11576568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).