1-(2-phenylimidazol-1-yl)butan-2-ol

C13H16N2O — CID 58743669

IUPAC1-(2-phenylimidazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-12(16)10-15-9-8-14-13(15)11-6-4-3-5-7-11/h3-9,12,16H,2,10H2,1H3
InChIKeyOZZNYUVQRGPPTJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-phenylimidazol-1-yl)butan-2-ol

1-(2-phenylimidazol-1-yl)butan-2-ol (PubChem CID 58743669) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-phenylimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2-phenylimidazol-1-yl)butan-2-ol
PubChem CID58743669
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2-phenylimidazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-12(16)10-15-9-8-14-13(15)11-6-4-3-5-7-11/h3-9,12,16H,2,10H2,1H3
InChIKeyOZZNYUVQRGPPTJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenylimidazol-1-yl)butan-2-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

1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 95552944
1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 111440105
N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine
CID 62042759
1-[(2-fluorophenyl)methoxy]-3-(2-phenylimidazol-1-yl)propan-2-ol
CID 111440098
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 55139509
(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
CID 95126697
(2S)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
CID 95126696
2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
CID 63075138
1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 62265055
2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
CID 61071225

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylimidazol-1-yl)butan-2-ol?
The IUPAC name of 1-(2-phenylimidazol-1-yl)butan-2-ol (CID 58743669) is 1-(2-phenylimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(2-phenylimidazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(2-phenylimidazol-1-yl)butan-2-ol is CCC(O)Cn1ccnc1-c1ccccc1.
What is the InChIKey of 1-(2-phenylimidazol-1-yl)butan-2-ol?
The InChIKey is OZZNYUVQRGPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12(16)10-15-9-8-14-13(15)11-6-4-3-5-7-11/h3-9,12,16H,2,10H2,1H3.
What are the key properties of 1-(2-phenylimidazol-1-yl)butan-2-ol?
1-(2-phenylimidazol-1-yl)butan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 58743669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).