3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol

C12H15N3O — CID 155232141

IUPAC3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
SMILESNc1ccc(-c2cnc(CCCO)[nH]2)cc1
InChIInChI=1S/C12H15N3O/c13-10-5-3-9(4-6-10)11-8-14-12(15-11)2-1-7-16/h3-6,8,16H,1-2,7,13H2,(H,14,15)
InChIKeyZFSOJLCDKPSIJP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.58
Rot. Bonds4

About 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol

3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol (PubChem CID 155232141) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
PubChem CID155232141
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
SMILESNc1ccc(-c2cnc(CCCO)[nH]2)cc1
InChIInChI=1S/C12H15N3O/c13-10-5-3-9(4-6-10)11-8-14-12(15-11)2-1-7-16/h3-6,8,16H,1-2,7,13H2,(H,14,15)
InChIKeyZFSOJLCDKPSIJP-UHFFFAOYSA-N
XLogP1.58
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116878465
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-ol
CID 116878481
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
CID 13170817
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
3-(2-butyl-1H-imidazol-5-yl)aniline
CID 173009112
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878459
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol (CID 155232141) is 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol is Nc1ccc(-c2cnc(CCCO)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is ZFSOJLCDKPSIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-10-5-3-9(4-6-10)11-8-14-12(15-11)2-1-7-16/h3-6,8,16H,1-2,7,13H2,(H,14,15).
What are the key properties of 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol?
3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 155232141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).