2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol

C14H18N2O — CID 116882887

IUPAC2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-11(9-17)14-15-8-13(16-14)12-6-4-5-10(2)7-12/h4-8,11,17H,3,9H2,1-2H3,(H,15,16)
InChIKeyCIWKLLXWSBLNTA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds4

About 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol

2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol (PubChem CID 116882887) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
PubChem CID116882887
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C14H18N2O/c1-3-11(9-17)14-15-8-13(16-14)12-6-4-5-10(2)7-12/h4-8,11,17H,3,9H2,1-2H3,(H,15,16)
InChIKeyCIWKLLXWSBLNTA-UHFFFAOYSA-N
XLogP2.87
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The IUPAC name of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol (CID 116882887) is 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The canonical SMILES for 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol is CCC(CO)c1ncc(-c2cccc(C)c2)[nH]1.
What is the InChIKey of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The InChIKey is CIWKLLXWSBLNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-11(9-17)14-15-8-13(16-14)12-6-4-5-10(2)7-12/h4-8,11,17H,3,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol is sourced from PubChem (CID 116882887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).