1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol

C23H17Cl3N2O — CID 4197336

IUPAC1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C23H17Cl3N2O/c24-19-7-1-16(2-8-19)22(28-14-13-27-15-28)23(29,17-3-9-20(25)10-4-17)18-5-11-21(26)12-6-18/h1-15,22,29H
InChIKeySHIHXAYCUFPIKZ-UHFFFAOYSA-N
MW443.76 g/mol
LogP6.37
Rot. Bonds5

About 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol

1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol (PubChem CID 4197336) has the molecular formula C23H17Cl3N2O and a molecular weight of 443.76 g/mol. Its IUPAC name is 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol
PubChem CID4197336
Molecular FormulaC23H17Cl3N2O
Molecular Weight443.76 g/mol
Exact Mass442.04
IUPAC Name1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C23H17Cl3N2O/c24-19-7-1-16(2-8-19)22(28-14-13-27-15-28)23(29,17-3-9-20(25)10-4-17)18-5-11-21(26)12-6-18/h1-15,22,29H
InChIKeySHIHXAYCUFPIKZ-UHFFFAOYSA-N
XLogP6.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol (CID 4197336) is 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol is OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is SHIHXAYCUFPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O/c24-19-7-1-16(2-8-19)22(28-14-13-27-15-28)23(29,17-3-9-20(25)10-4-17)18-5-11-21(26)12-6-18/h1-15,22,29H.
What are the key properties of 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol?
1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 443.76 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(4-chlorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 4197336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).