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

C15H22N4O — CID 107229633

IUPAC[3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol
SMILESCN(C)c1ncc(CNCc2cccc(CO)c2)n1C
InChIInChI=1S/C15H22N4O/c1-18(2)15-17-10-14(19(15)3)9-16-8-12-5-4-6-13(7-12)11-20/h4-7,10,16,20H,8-9,11H2,1-3H3
InChIKeyYWAUNVWGIBRGSZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.27
Rot. Bonds6

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

[3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol (PubChem CID 107229633) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol
PubChem CID107229633
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol
SMILESCN(C)c1ncc(CNCc2cccc(CO)c2)n1C
InChIInChI=1S/C15H22N4O/c1-18(2)15-17-10-14(19(15)3)9-16-8-12-5-4-6-13(7-12)11-20/h4-7,10,16,20H,8-9,11H2,1-3H3
InChIKeyYWAUNVWGIBRGSZ-UHFFFAOYSA-N
XLogP1.27
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884
5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
CID 114161729
N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine
CID 80682636
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
CID 114169123
4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-fluorophenol
CID 64795010
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
CID 107230485
[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 107230534
[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
CID 63312168
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 103648527

Frequently Asked Questions

What is the IUPAC name of [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol (CID 107229633) is [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol is CN(C)c1ncc(CNCc2cccc(CO)c2)n1C.
What is the InChIKey of [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol?
The InChIKey is YWAUNVWGIBRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18(2)15-17-10-14(19(15)3)9-16-8-12-5-4-6-13(7-12)11-20/h4-7,10,16,20H,8-9,11H2,1-3H3.
What are the key properties of [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol?
[3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol has a molecular weight of 274.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107229633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).