3-(3-benzylimidazol-4-yl)propan-1-ol

C13H16N2O — CID 45103805

IUPAC3-(3-benzylimidazol-4-yl)propan-1-ol
SMILESOCCCc1cncn1Cc1ccccc1
InChIInChI=1S/C13H16N2O/c16-8-4-7-13-9-14-11-15(13)10-12-5-2-1-3-6-12/h1-3,5-6,9,11,16H,4,7-8,10H2
InChIKeyTZVJUMCHCPZGTM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.86
Rot. Bonds5

About 3-(3-benzylimidazol-4-yl)propan-1-ol

3-(3-benzylimidazol-4-yl)propan-1-ol (PubChem CID 45103805) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(3-benzylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-benzylimidazol-4-yl)propan-1-ol
PubChem CID45103805
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(3-benzylimidazol-4-yl)propan-1-ol
SMILESOCCCc1cncn1Cc1ccccc1
InChIInChI=1S/C13H16N2O/c16-8-4-7-13-9-14-11-15(13)10-12-5-2-1-3-6-12/h1-3,5-6,9,11,16H,4,7-8,10H2
InChIKeyTZVJUMCHCPZGTM-UHFFFAOYSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-5-hydroxymethyl-1H-imidazole
CID 2773235
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
1-(4-Cyanobenzyl)-5-hydroxymethyl-1H-imidazole
CID 10198247
3-[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 13688208
Methyl 3-(1-Benzyl-1H-imidazol-5-yl)-propanoate
CID 14535954
3-[1-(4-Bromobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 22466877
1-methyl-4-phenyl-1H-imidazole
CID 2748782
(1-benzyl-1H-imidazol-2-yl)methanol
CID 311778
[1-benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol
CID 2795488
(3-Benzyl-2-prop-2-enylsulfanylimidazol-4-yl)methanol
CID 3849965
2-(1-isopropyl-4-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}piperazin-2-yl)ethanol
CID 16190263
(1-methyl-2-phenyl-1H-imidazol-5-yl)methanol
CID 320833

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylimidazol-4-yl)propan-1-ol?
The IUPAC name of 3-(3-benzylimidazol-4-yl)propan-1-ol (CID 45103805) is 3-(3-benzylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3-benzylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(3-benzylimidazol-4-yl)propan-1-ol is OCCCc1cncn1Cc1ccccc1.
What is the InChIKey of 3-(3-benzylimidazol-4-yl)propan-1-ol?
The InChIKey is TZVJUMCHCPZGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-8-4-7-13-9-14-11-15(13)10-12-5-2-1-3-6-12/h1-3,5-6,9,11,16H,4,7-8,10H2.
What are the key properties of 3-(3-benzylimidazol-4-yl)propan-1-ol?
3-(3-benzylimidazol-4-yl)propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 45103805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).