1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol

C17H15BrN2O — CID 15737971

IUPAC1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol
SMILESOC(Cn1ccnc1)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c18-16-8-6-15(7-9-16)17(21,12-20-11-10-19-13-20)14-4-2-1-3-5-14/h1-11,13,21H,12H2
InChIKeyQGNIGDRKAXGLEH-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol

1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol (PubChem CID 15737971) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol
PubChem CID15737971
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol
SMILESOC(Cn1ccnc1)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c18-16-8-6-15(7-9-16)17(21,12-20-11-10-19-13-20)14-4-2-1-3-5-14/h1-11,13,21H,12H2
InChIKeyQGNIGDRKAXGLEH-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol?
The IUPAC name of 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol (CID 15737971) is 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol is OC(Cn1ccnc1)(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol?
The InChIKey is QGNIGDRKAXGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-16-8-6-15(7-9-16)17(21,12-20-11-10-19-13-20)14-4-2-1-3-5-14/h1-11,13,21H,12H2.
What are the key properties of 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol?
1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol has a molecular weight of 343.22 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-imidazol-1-yl-1-phenylethanol is sourced from PubChem (CID 15737971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).