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

C12H15N3O — CID 63312168

IUPAC[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
SMILESCn1ccnc1NCc1cccc(CO)c1
InChIInChI=1S/C12H15N3O/c1-15-6-5-13-12(15)14-8-10-3-2-4-11(7-10)9-16/h2-7,16H,8-9H2,1H3,(H,13,14)
InChIKeyZMGRJTRXKNEPMD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.52
Rot. Bonds4

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

[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol (PubChem CID 63312168) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
PubChem CID63312168
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
SMILESCn1ccnc1NCc1cccc(CO)c1
InChIInChI=1S/C12H15N3O/c1-15-6-5-13-12(15)14-8-10-3-2-4-11(7-10)9-16/h2-7,16H,8-9H2,1H3,(H,13,14)
InChIKeyZMGRJTRXKNEPMD-UHFFFAOYSA-N
XLogP1.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol (CID 63312168) is [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol is Cn1ccnc1NCc1cccc(CO)c1.
What is the InChIKey of [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is ZMGRJTRXKNEPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-6-5-13-12(15)14-8-10-3-2-4-11(7-10)9-16/h2-7,16H,8-9H2,1H3,(H,13,14).
What are the key properties of [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol?
[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 63312168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).