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

C13H15BrN2O — CID 22466877

IUPAC3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESOCCCc1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2
InChIKeyHNOJMJNDVRPLSW-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.62
Rot. Bonds5

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

3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol (PubChem CID 22466877) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
PubChem CID22466877
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESOCCCc1cncn1Cc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2
InChIKeyHNOJMJNDVRPLSW-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-5-hydroxymethyl-1H-imidazole
CID 2773235
3-[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 13688208
1-(4-Bromobenzyl)-5-phenyl-1H-imidazole
CID 45103810
3-(1-Benzyl-1H-imidazol-5-yl)-1-propanol
CID 45103805
3-[1-(4-Fluorobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 44206480
Methyl 3-[1-(4-Bromobenzyl)-1H-imidazol-5-yl]-propanoate
CID 44206481
5-(4-Bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;hydrochloride
CID 14097197
3-[1-(4-Chlorobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 45103806
3-[[1-[(4-bromophenyl)methyl]-3-methylimidazol-1-ium-4-yl]methyl]-2-ethyl-N,4-dihydroxybutanamide bromide
CID 90678997
5-(p-Bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 14097196
2-(5-Phenylimidazol-1-yl)ethanol
CID 58294092
5-(4-bromophenyl)-1-ethyl-1H-imidazol-2-amine
CID 6917234

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
The IUPAC name of 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol (CID 22466877) is 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol is OCCCc1cncn1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
The InChIKey is HNOJMJNDVRPLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-16-10-15-8-13(16)2-1-7-17/h3-6,8,10,17H,1-2,7,9H2.
What are the key properties of 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol?
3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol has a molecular weight of 295.18 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol is sourced from PubChem (CID 22466877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).