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

C13H17N3O — CID 105098831

IUPAC[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1cccc(C(O)c2nccn2C)c1
InChIInChI=1S/C13H17N3O/c1-15(2)11-6-4-5-10(9-11)12(17)13-14-7-8-16(13)3/h4-9,12,17H,1-3H3
InChIKeyIPKKLFSUEFUZAM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.57
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol

[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol (PubChem CID 105098831) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
PubChem CID105098831
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1cccc(C(O)c2nccn2C)c1
InChIInChI=1S/C13H17N3O/c1-15(2)11-6-4-5-10(9-11)12(17)13-14-7-8-16(13)3/h4-9,12,17H,1-3H3
InChIKeyIPKKLFSUEFUZAM-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

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Related Compounds

3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473260
[4-(diethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
CID 23797851
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
[3-(dimethylamino)phenyl]-quinolin-8-ylmethanol
CID 105118763
3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149849
S-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl] N,N-dimethylcarbamothioate
CID 71482579
S-[(S)-(1-methylimidazol-2-yl)-phenylmethyl] N,N-dimethylcarbamothioate
CID 139191053
(1-methylimidazol-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63974299
(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 110429573
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol (CID 105098831) is [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol is CN(C)c1cccc(C(O)c2nccn2C)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is IPKKLFSUEFUZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15(2)11-6-4-5-10(9-11)12(17)13-14-7-8-16(13)3/h4-9,12,17H,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol?
[3-(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 [3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 105098831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).