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

C15H21N3O — CID 23797851

IUPAC[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCCN(CC)c1ccc(C(O)c2nccn2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)13-8-6-12(7-9-13)14(19)15-16-10-11-17(15)3/h6-11,14,19H,4-5H2,1-3H3
InChIKeyTWJBAYNQWCSFOA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.35
Rot. Bonds5

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

[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 23797851) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID23797851
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCCN(CC)c1ccc(C(O)c2nccn2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)13-8-6-12(7-9-13)14(19)15-16-10-11-17(15)3/h6-11,14,19H,4-5H2,1-3H3
InChIKeyTWJBAYNQWCSFOA-UHFFFAOYSA-N
XLogP2.35
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.35
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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Related Compounds

(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
(1-methylimidazol-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63974299
[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
CID 105098831
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanol
CID 105098896
N,N-diethyl-1-methylimidazol-2-amine
CID 130557690
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65363337
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-methyl-2-pentan-3-ylimidazole
CID 89261277
N-[4-(diethylamino)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide;sulfuric acid
CID 18774664

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol (CID 23797851) is [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol is CCN(CC)c1ccc(C(O)c2nccn2C)cc1.
What is the InChIKey of [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is TWJBAYNQWCSFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18(5-2)13-8-6-12(7-9-13)14(19)15-16-10-11-17(15)3/h6-11,14,19H,4-5H2,1-3H3.
What are the key properties of [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 259.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 23797851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).