1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol

C17H14BrClN2O — CID 15737972

IUPAC1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C17H14BrClN2O/c18-14-7-5-13(6-8-14)17(22,11-21-10-9-20-12-21)15-3-1-2-4-16(15)19/h1-10,12,22H,11H2
InChIKeyVPYMOAPGOGGAAP-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol

1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol (PubChem CID 15737972) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol
PubChem CID15737972
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC Name1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C17H14BrClN2O/c18-14-7-5-13(6-8-14)17(22,11-21-10-9-20-12-21)15-3-1-2-4-16(15)19/h1-10,12,22H,11H2
InChIKeyVPYMOAPGOGGAAP-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol (CID 15737972) is 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)(c1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is VPYMOAPGOGGAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c18-14-7-5-13(6-8-14)17(22,11-21-10-9-20-12-21)15-3-1-2-4-16(15)19/h1-10,12,22H,11H2.
What are the key properties of 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol?
1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 377.67 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 15737972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).