1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol

C17H15BrN2O — CID 58580498

IUPAC1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O/c18-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17(21)11-20-10-9-19-12-20/h1-10,12,17,21H,11H2
InChIKeyANRRAPSZJCDJQI-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.05
Rot. Bonds4

About 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol

1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol (PubChem CID 58580498) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol
PubChem CID58580498
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O/c18-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17(21)11-20-10-9-19-12-20/h1-10,12,17,21H,11H2
InChIKeyANRRAPSZJCDJQI-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol?
The IUPAC name of 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol (CID 58580498) is 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol?
The canonical SMILES for 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol is OC(Cn1ccnc1)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol?
The InChIKey is ANRRAPSZJCDJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-16-7-5-14(6-8-16)13-1-3-15(4-2-13)17(21)11-20-10-9-19-12-20/h1-10,12,17,21H,11H2.
What are the key properties of 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol?
1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol has a molecular weight of 343.22 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)phenyl]-2-imidazol-1-ylethanol is sourced from PubChem (CID 58580498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).