[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol

C13H17N3O — CID 107230249

IUPAC[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
SMILESCc1ncc(CNCc2ccc(CO)cc2)[nH]1
InChIInChI=1S/C13H17N3O/c1-10-15-8-13(16-10)7-14-6-11-2-4-12(9-17)5-3-11/h2-5,8,14,17H,6-7,9H2,1H3,(H,15,16)
InChIKeyUGKCENHJHZBWAB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds5

About [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol

[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol (PubChem CID 107230249) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
PubChem CID107230249
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
SMILESCc1ncc(CNCc2ccc(CO)cc2)[nH]1
InChIInChI=1S/C13H17N3O/c1-10-15-8-13(16-10)7-14-6-11-2-4-12(9-17)5-3-11/h2-5,8,14,17H,6-7,9H2,1H3,(H,15,16)
InChIKeyUGKCENHJHZBWAB-UHFFFAOYSA-N
XLogP1.50
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol with MolForge

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Related Compounds

tert-butyl N-[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]carbamate
CID 107239619
5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(3-nitrophenyl)methanamine
CID 62741635
2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
CID 62743615
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 62743984
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904711
2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
CID 62743070
2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 103859407
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 112697644

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol (CID 107230249) is [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol is Cc1ncc(CNCc2ccc(CO)cc2)[nH]1.
What is the InChIKey of [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is UGKCENHJHZBWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-15-8-13(16-10)7-14-6-11-2-4-12(9-17)5-3-11/h2-5,8,14,17H,6-7,9H2,1H3,(H,15,16).
What are the key properties of [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol?
[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 231.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).