1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol

C13H15BrN2O — CID 22466867

IUPAC1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESCCC(O)c1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-2-13(17)12-7-15-9-16(12)8-10-3-5-11(14)6-4-10/h3-7,9,13,17H,2,8H2,1H3
InChIKeyUYSKYZKDDDFKKH-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.14
Rot. Bonds4

About 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol

1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol (PubChem CID 22466867) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
PubChem CID22466867
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESCCC(O)c1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-2-13(17)12-7-15-9-16(12)8-10-3-5-11(14)6-4-10/h3-7,9,13,17H,2,8H2,1H3
InChIKeyUYSKYZKDDDFKKH-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104802227
(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942663
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
(1R)-1-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942316
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969656
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
phenyl-[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 23592025
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
The IUPAC name of 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol (CID 22466867) is 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol is CCC(O)c1cncn1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
The InChIKey is UYSKYZKDDDFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-13(17)12-7-15-9-16(12)8-10-3-5-11(14)6-4-10/h3-7,9,13,17H,2,8H2,1H3.
What are the key properties of 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol has a molecular weight of 295.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol is sourced from PubChem (CID 22466867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).