4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole

C26H21F3N2 — CID 162556159

IUPAC4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCc1cccc(-c2ccc(-n3cc(C4CC4)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C26H21F3N2/c1-17-5-4-6-20(15-17)18-11-13-21(14-12-18)31-16-24(19-9-10-19)30-25(31)22-7-2-3-8-23(22)26(27,28)29/h2-8,11-16,19H,9-10H2,1H3
InChIKeyPTDDNJOMJWYLAV-UHFFFAOYSA-N
MW418.46 g/mol
LogP7.41
Rot. Bonds4

About 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole

4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole (PubChem CID 162556159) has the molecular formula C26H21F3N2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
PubChem CID162556159
Molecular FormulaC26H21F3N2
Molecular Weight418.46 g/mol
Exact Mass418.17
IUPAC Name4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCc1cccc(-c2ccc(-n3cc(C4CC4)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C26H21F3N2/c1-17-5-4-6-20(15-17)18-11-13-21(14-12-18)31-16-24(19-9-10-19)30-25(31)22-7-2-3-8-23(22)26(27,28)29/h2-8,11-16,19H,9-10H2,1H3
InChIKeyPTDDNJOMJWYLAV-UHFFFAOYSA-N
XLogP7.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole (CID 162556159) is 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole is Cc1cccc(-c2ccc(-n3cc(C4CC4)nc3-c3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
The InChIKey is PTDDNJOMJWYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2/c1-17-5-4-6-20(15-17)18-11-13-21(14-12-18)31-16-24(19-9-10-19)30-25(31)22-7-2-3-8-23(22)26(27,28)29/h2-8,11-16,19H,9-10H2,1H3.
What are the key properties of 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole?
4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole has a molecular weight of 418.46 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[4-(3-methylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 162556159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).