[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol

C13H17N3O — CID 2859460

IUPAC[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1ccc(C(O)c2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-15(2)11-6-4-10(5-7-11)12(17)13-14-8-9-16(13)3/h4-9,12,17H,1-3H3
InChIKeyJRPMVQWEJVNEEW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.57
Rot. Bonds3

About [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol

[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 2859460) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID2859460
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1ccc(C(O)c2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-15(2)11-6-4-10(5-7-11)12(17)13-14-8-9-16(13)3/h4-9,12,17H,1-3H3
InChIKeyJRPMVQWEJVNEEW-UHFFFAOYSA-N
XLogP1.57
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol (CID 2859460) is [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol is CN(C)c1ccc(C(O)c2nccn2C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is JRPMVQWEJVNEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15(2)11-6-4-10(5-7-11)12(17)13-14-8-9-16(13)3/h4-9,12,17H,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 231.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 2859460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).