3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole

C22H19Cl2N5 — CID 44576874

IUPAC3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccc(-n3ccnc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H19Cl2N5/c1-28-20(18-8-7-17(13-19(18)24)29-12-11-25-14-29)26-27-21(28)22(9-2-10-22)15-3-5-16(23)6-4-15/h3-8,11-14H,2,9-10H2,1H3
InChIKeyWIHGHYGCPZDKII-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.44
Rot. Bonds4

About 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole

3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole (PubChem CID 44576874) has the molecular formula C22H19Cl2N5 and a molecular weight of 424.34 g/mol. Its IUPAC name is 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole
PubChem CID44576874
Molecular FormulaC22H19Cl2N5
Molecular Weight424.34 g/mol
Exact Mass423.10
IUPAC Name3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccc(-n3ccnc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H19Cl2N5/c1-28-20(18-8-7-17(13-19(18)24)29-12-11-25-14-29)26-27-21(28)22(9-2-10-22)15-3-5-16(23)6-4-15/h3-8,11-14H,2,9-10H2,1H3
InChIKeyWIHGHYGCPZDKII-UHFFFAOYSA-N
XLogP5.44
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole 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 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole (CID 44576874) is 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole is Cn1c(-c2ccc(-n3ccnc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole?
The InChIKey is WIHGHYGCPZDKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5/c1-28-20(18-8-7-17(13-19(18)24)29-12-11-25-14-29)26-27-21(28)22(9-2-10-22)15-3-5-16(23)6-4-15/h3-8,11-14H,2,9-10H2,1H3.
What are the key properties of 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole?
3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole has a molecular weight of 424.34 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-imidazol-1-ylphenyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 44576874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).