2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol

C25H24F3N3O2S — CID 143463779

IUPAC2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol
SMILESCOc1cccc(-c2cccc(C3(c4ccc(C)cc4)N=C(N)N(C)C3=O)c2)c1.FC(F)(F)S
InChIInChI=1S/C24H23N3O2.CHF3S/c1-16-10-12-19(13-11-16)24(22(28)27(2)23(25)26-24)20-8-4-6-17(14-20)18-7-5-9-21(15-18)29-3;2-1(3,4)5/h4-15H,1-3H3,(H2,25,26);5H
InChIKeyQQVFIWQWDHKNMY-UHFFFAOYSA-N
MW487.55 g/mol
LogP5.14
Rot. Bonds4

About 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol

2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol (PubChem CID 143463779) has the molecular formula C25H24F3N3O2S and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol.

Molecular Properties

Compound Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol
PubChem CID143463779
Molecular FormulaC25H24F3N3O2S
Molecular Weight487.55 g/mol
Exact Mass487.15
IUPAC Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol
SMILESCOc1cccc(-c2cccc(C3(c4ccc(C)cc4)N=C(N)N(C)C3=O)c2)c1.FC(F)(F)S
InChIInChI=1S/C24H23N3O2.CHF3S/c1-16-10-12-19(13-11-16)24(22(28)27(2)23(25)26-24)20-8-4-6-17(14-20)18-7-5-9-21(15-18)29-3;2-1(3,4)5/h4-15H,1-3H3,(H2,25,26);5H
InChIKeyQQVFIWQWDHKNMY-UHFFFAOYSA-N
XLogP5.14
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
[3-[3-[2-amino-1-methyl-5-oxo-4-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonate
CID 152762993
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 16750245
2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 25063366
2-amino-5-[3-[3-bromo-5-(trifluoromethoxy)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one
CID 59388140
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
2-amino-5-[3-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methoxyphenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;hydrochloride
CID 87622032
[3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid
CID 91533265
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
2-amino-5-(3,4-dihydro-2H-chromen-6-yl)-5-[3-[5-methoxy-2-(trifluoromethoxy)phenyl]phenyl]-3-methylimidazol-4-one
CID 24991142
[4-[(4S)-2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]phenyl] methanesulfonate
CID 87682940

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol?
The IUPAC name of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol (CID 143463779) is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol.
What is the SMILES notation for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol?
The canonical SMILES for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol is COc1cccc(-c2cccc(C3(c4ccc(C)cc4)N=C(N)N(C)C3=O)c2)c1.FC(F)(F)S.
What is the InChIKey of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol?
The InChIKey is QQVFIWQWDHKNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.CHF3S/c1-16-10-12-19(13-11-16)24(22(28)27(2)23(25)26-24)20-8-4-6-17(14-20)18-7-5-9-21(15-18)29-3;2-1(3,4)5/h4-15H,1-3H3,(H2,25,26);5H.
What are the key properties of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol?
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol has a molecular weight of 487.55 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol is sourced from PubChem (CID 143463779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).