1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole

C24H23F3N2 — CID 148729609

IUPAC1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole
SMILESCC1C=CC(C(C2=CCCC=C2)(c2ccccc2)n2ccnc2)=CC1C(F)(F)F
InChIInChI=1S/C24H23F3N2/c1-18-12-13-21(16-22(18)24(25,26)27)23(29-15-14-28-17-29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-6,8-18,22H,3,7H2,1H3
InChIKeyOARUOWGUZSQEQI-UHFFFAOYSA-N
MW396.46 g/mol
LogP6.21
Rot. Bonds4

About 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole

1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole (PubChem CID 148729609) has the molecular formula C24H23F3N2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole.

Molecular Properties

Compound Name1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole
PubChem CID148729609
Molecular FormulaC24H23F3N2
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole
SMILESCC1C=CC(C(C2=CCCC=C2)(c2ccccc2)n2ccnc2)=CC1C(F)(F)F
InChIInChI=1S/C24H23F3N2/c1-18-12-13-21(16-22(18)24(25,26)27)23(29-15-14-28-17-29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-6,8-18,22H,3,7H2,1H3
InChIKeyOARUOWGUZSQEQI-UHFFFAOYSA-N
XLogP6.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67535266
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1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
CID 3401
4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
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CID 87105376
(2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole
CID 142266224
2-[3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-2-methyl-5-(2-phenylpropan-2-yl)phenyl]benzotriazole
CID 145229704
1-[2-(2-chlorophenyl)propan-2-yl]imidazole
CID 142193020
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
3-[[imidazol-1-yl(diphenyl)methyl]-propylsilyl]cyclohexa-2,4-diene-1-thione
CID 173367971

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole?
The IUPAC name of 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole (CID 148729609) is 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole.
What is the SMILES notation for 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole?
The canonical SMILES for 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole is CC1C=CC(C(C2=CCCC=C2)(c2ccccc2)n2ccnc2)=CC1C(F)(F)F.
What is the InChIKey of 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole?
The InChIKey is OARUOWGUZSQEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2/c1-18-12-13-21(16-22(18)24(25,26)27)23(29-15-14-28-17-29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-6,8-18,22H,3,7H2,1H3.
What are the key properties of 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole?
1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole has a molecular weight of 396.46 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole is sourced from PubChem (CID 148729609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).