[4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol

C16H23N3O — CID 3131362

IUPAC[4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol
SMILESCCCc1ncc(C(O)c2ccc(N(C)C)cc2)n1C
InChIInChI=1S/C16H23N3O/c1-5-6-15-17-11-14(19(15)4)16(20)12-7-9-13(10-8-12)18(2)3/h7-11,16,20H,5-6H2,1-4H3
InChIKeyZCDSPEJNLZESTF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.52
Rot. Bonds5

About [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol

[4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol (PubChem CID 3131362) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol
PubChem CID3131362
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol
SMILESCCCc1ncc(C(O)c2ccc(N(C)C)cc2)n1C
InChIInChI=1S/C16H23N3O/c1-5-6-15-17-11-14(19(15)4)16(20)12-7-9-13(10-8-12)18(2)3/h7-11,16,20H,5-6H2,1-4H3
InChIKeyZCDSPEJNLZESTF-UHFFFAOYSA-N
XLogP2.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol 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 [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol (CID 3131362) is [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol is CCCc1ncc(C(O)c2ccc(N(C)C)cc2)n1C.
What is the InChIKey of [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol?
The InChIKey is ZCDSPEJNLZESTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-6-15-17-11-14(19(15)4)16(20)12-7-9-13(10-8-12)18(2)3/h7-11,16,20H,5-6H2,1-4H3.
What are the key properties of [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol?
[4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol has a molecular weight of 273.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(3-methyl-2-propylimidazol-4-yl)methanol is sourced from PubChem (CID 3131362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).