5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole

C28H23Cl3N4 — CID 10346644

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole
SMILESCc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3
InChIKeyIHUJIWXYFXDLJI-UHFFFAOYSA-N
MW521.88 g/mol
LogP8.45
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole (PubChem CID 10346644) has the molecular formula C28H23Cl3N4 and a molecular weight of 521.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole
PubChem CID10346644
Molecular FormulaC28H23Cl3N4
Molecular Weight521.88 g/mol
Exact Mass520.10
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole
SMILESCc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3
InChIKeyIHUJIWXYFXDLJI-UHFFFAOYSA-N
XLogP8.45
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.88
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole (CID 10346644) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole is Cc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
The InChIKey is IHUJIWXYFXDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole has a molecular weight of 521.88 g/mol, XLogP of 8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole is sourced from PubChem (CID 10346644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).