4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole

C33H37F3N4 — CID 164730597

IUPAC4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(C)N(c2c(C)cc(C)cc2C)CN1c1cc(N2C=CN(c3c(C)cc(C)cc3C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C33H37F3N4/c1-20-11-22(3)31(23(4)12-20)38-10-9-37(18-38)29-15-28(33(34,35)36)16-30(17-29)39-19-40(27(8)26(39)7)32-24(5)13-21(2)14-25(32)6/h9-17H,18-19H2,1-8H3
InChIKeyOHTHFHHQTNPKOH-UHFFFAOYSA-N
MW546.68 g/mol
LogP8.85
Rot. Bonds4

About 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole

4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole (PubChem CID 164730597) has the molecular formula C33H37F3N4 and a molecular weight of 546.68 g/mol. Its IUPAC name is 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole
PubChem CID164730597
Molecular FormulaC33H37F3N4
Molecular Weight546.68 g/mol
Exact Mass546.30
IUPAC Name4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(C)N(c2c(C)cc(C)cc2C)CN1c1cc(N2C=CN(c3c(C)cc(C)cc3C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C33H37F3N4/c1-20-11-22(3)31(23(4)12-20)38-10-9-37(18-38)29-15-28(33(34,35)36)16-30(17-29)39-19-40(27(8)26(39)7)32-24(5)13-21(2)14-25(32)6/h9-17H,18-19H2,1-8H3
InChIKeyOHTHFHHQTNPKOH-UHFFFAOYSA-N
XLogP8.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The IUPAC name of 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole (CID 164730597) is 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole.
What is the SMILES notation for 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The canonical SMILES for 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole is CC1=C(C)N(c2c(C)cc(C)cc2C)CN1c1cc(N2C=CN(c3c(C)cc(C)cc3C)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The InChIKey is OHTHFHHQTNPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N4/c1-20-11-22(3)31(23(4)12-20)38-10-9-37(18-38)29-15-28(33(34,35)36)16-30(17-29)39-19-40(27(8)26(39)7)32-24(5)13-21(2)14-25(32)6/h9-17H,18-19H2,1-8H3.
What are the key properties of 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole?
4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole has a molecular weight of 546.68 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-[3-(trifluoromethyl)-5-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole is sourced from PubChem (CID 164730597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).