(1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol

C23H18Cl2N2O — CID 171986173

IUPAC(1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccc(Cl)cc1Cl)c1nccn1Cc1ccccc1
InChIInChI=1S/C23H18Cl2N2O/c24-19-11-12-20(21(25)15-19)23(28,18-9-5-2-6-10-18)22-26-13-14-27(22)16-17-7-3-1-4-8-17/h1-15,28H,16H2
InChIKeyUGVMCDUPMCUGRG-UHFFFAOYSA-N
MW409.32 g/mol
LogP5.52
Rot. Bonds5

About (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol

(1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol (PubChem CID 171986173) has the molecular formula C23H18Cl2N2O and a molecular weight of 409.32 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol
PubChem CID171986173
Molecular FormulaC23H18Cl2N2O
Molecular Weight409.32 g/mol
Exact Mass408.08
IUPAC Name(1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccc(Cl)cc1Cl)c1nccn1Cc1ccccc1
InChIInChI=1S/C23H18Cl2N2O/c24-19-11-12-20(21(25)15-19)23(28,18-9-5-2-6-10-18)22-26-13-14-27(22)16-17-7-3-1-4-8-17/h1-15,28H,16H2
InChIKeyUGVMCDUPMCUGRG-UHFFFAOYSA-N
XLogP5.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol?
The IUPAC name of (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol (CID 171986173) is (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol.
What is the SMILES notation for (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol?
The canonical SMILES for (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol is OC(c1ccccc1)(c1ccc(Cl)cc1Cl)c1nccn1Cc1ccccc1.
What is the InChIKey of (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol?
The InChIKey is UGVMCDUPMCUGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O/c24-19-11-12-20(21(25)15-19)23(28,18-9-5-2-6-10-18)22-26-13-14-27(22)16-17-7-3-1-4-8-17/h1-15,28H,16H2.
What are the key properties of (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol?
(1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol has a molecular weight of 409.32 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol is sourced from PubChem (CID 171986173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).