5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid

C23H24ClF3N2O3 — CID 53300724

IUPAC5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23ClN2O.C2HF3O2/c1-3-4-8-19-21(18-7-5-6-9-20(18)25-2)23-15-24(19)14-16-10-12-17(22)13-11-16;3-2(4,5)1(6)7/h5-7,9-13,15H,3-4,8,14H2,1-2H3;(H,6,7)
InChIKeyDIHGDQHIPJCFAQ-UHFFFAOYSA-N
MW468.90 g/mol
LogP6.24
Rot. Bonds7

About 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid

5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid (PubChem CID 53300724) has the molecular formula C23H24ClF3N2O3 and a molecular weight of 468.90 g/mol. Its IUPAC name is 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
PubChem CID53300724
Molecular FormulaC23H24ClF3N2O3
Molecular Weight468.90 g/mol
Exact Mass468.14
IUPAC Name5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23ClN2O.C2HF3O2/c1-3-4-8-19-21(18-7-5-6-9-20(18)25-2)23-15-24(19)14-16-10-12-17(22)13-11-16;3-2(4,5)1(6)7/h5-7,9-13,15H,3-4,8,14H2,1-2H3;(H,6,7)
InChIKeyDIHGDQHIPJCFAQ-UHFFFAOYSA-N
XLogP6.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.90
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid 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 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid (CID 53300724) is 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid is CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is DIHGDQHIPJCFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O.C2HF3O2/c1-3-4-8-19-21(18-7-5-6-9-20(18)25-2)23-15-24(19)14-16-10-12-17(22)13-11-16;3-2(4,5)1(6)7/h5-7,9-13,15H,3-4,8,14H2,1-2H3;(H,6,7).
What are the key properties of 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid?
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 468.90 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53300724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).