1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C13H14BrClN2O — CID 114529322

IUPAC1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN2O/c1-17-7-6-16-13(17)5-4-12(18)10-3-2-9(14)8-11(10)15/h2-3,6-8,12,18H,4-5H2,1H3
InChIKeyVYHZGUFXSPGPFA-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529322) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529322
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN2O/c1-17-7-6-16-13(17)5-4-12(18)10-3-2-9(14)8-11(10)15/h2-3,6-8,12,18H,4-5H2,1H3
InChIKeyVYHZGUFXSPGPFA-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340398
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-(4-chloro-2-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837996
1-(2-bromo-5-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114027282
1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529889
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
1-(4-bromo-2,6-difluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837980
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155
N-[1-(4-bromo-2-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011211
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529824
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529322) is 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is VYHZGUFXSPGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-17-7-6-16-13(17)5-4-12(18)10-3-2-9(14)8-11(10)15/h2-3,6-8,12,18H,4-5H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 329.63 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).