1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol

C18H17BrN2O — CID 15737974

IUPAC1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(Cn2ccnc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H17BrN2O/c1-14-2-4-15(5-3-14)18(22,12-21-11-10-20-13-21)16-6-8-17(19)9-7-16/h2-11,13,22H,12H2,1H3
InChIKeyHUCVBLUQXJFCQE-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol

1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol (PubChem CID 15737974) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol
PubChem CID15737974
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(Cn2ccnc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H17BrN2O/c1-14-2-4-15(5-3-14)18(22,12-21-11-10-20-13-21)16-6-8-17(19)9-7-16/h2-11,13,22H,12H2,1H3
InChIKeyHUCVBLUQXJFCQE-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.89
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-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol (CID 15737974) is 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)(Cn2ccnc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol?
The InChIKey is HUCVBLUQXJFCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-14-2-4-15(5-3-14)18(22,12-21-11-10-20-13-21)16-6-8-17(19)9-7-16/h2-11,13,22H,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol?
1-(4-bromophenyl)-2-imidazol-1-yl-1-(4-methylphenyl)ethanol has a molecular weight of 357.25 g/mol, XLogP of 3.89, 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-(4-methylphenyl)ethanol is sourced from PubChem (CID 15737974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).