(4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole

C22H17Cl2F3N2 — CID 71090645

IUPAC(4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](C3C=CC(Cl)=CC3)N2)cc1
InChIInChI=1S/C22H17Cl2F3N2/c23-17-9-3-13(4-10-17)19-20(14-5-11-18(24)12-6-14)29-21(28-19)15-1-7-16(8-2-15)22(25,26)27/h1-5,7-12,14,19-20H,6H2,(H,28,29)/t14?,19-,20+/m1/s1
InChIKeyZREPBDMMHZXWNV-LCMMRXEZSA-N
MW437.29 g/mol
LogP6.52
Rot. Bonds3

About (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole

(4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 71090645) has the molecular formula C22H17Cl2F3N2 and a molecular weight of 437.29 g/mol. Its IUPAC name is (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID71090645
Molecular FormulaC22H17Cl2F3N2
Molecular Weight437.29 g/mol
Exact Mass436.07
IUPAC Name(4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](C3C=CC(Cl)=CC3)N2)cc1
InChIInChI=1S/C22H17Cl2F3N2/c23-17-9-3-13(4-10-17)19-20(14-5-11-18(24)12-6-14)29-21(28-19)15-1-7-16(8-2-15)22(25,26)27/h1-5,7-12,14,19-20H,6H2,(H,28,29)/t14?,19-,20+/m1/s1
InChIKeyZREPBDMMHZXWNV-LCMMRXEZSA-N
XLogP6.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 71090645) is (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](C3C=CC(Cl)=CC3)N2)cc1.
What is the InChIKey of (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is ZREPBDMMHZXWNV-LCMMRXEZSA-N. The full InChI is InChI=1S/C22H17Cl2F3N2/c23-17-9-3-13(4-10-17)19-20(14-5-11-18(24)12-6-14)29-21(28-19)15-1-7-16(8-2-15)22(25,26)27/h1-5,7-12,14,19-20H,6H2,(H,28,29)/t14?,19-,20+/m1/s1.
What are the key properties of (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
(4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 437.29 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71090645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).