1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C13H17N3O — CID 106695562

IUPAC1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O/c1-16-9-8-15-13(16)7-6-12(17)10-2-4-11(14)5-3-10/h2-5,8-9,12,17H,6-7,14H2,1H3
InChIKeyVKVXQJDJSHJUOG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.67
Rot. Bonds4

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

1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 106695562) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID106695562
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O/c1-16-9-8-15-13(16)7-6-12(17)10-2-4-11(14)5-3-10/h2-5,8-9,12,17H,6-7,14H2,1H3
InChIKeyVKVXQJDJSHJUOG-UHFFFAOYSA-N
XLogP1.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)-3-(1-methylimidazol-2-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

3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529824
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529055
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529889
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 106695562) is 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is VKVXQJDJSHJUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-9-8-15-13(16)7-6-12(17)10-2-4-11(14)5-3-10/h2-5,8-9,12,17H,6-7,14H2,1H3.
What are the key properties of 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 106695562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).