4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol

C12H15N3O — CID 114331453

IUPAC4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol
SMILESCc1[nH]cnc1CNCc1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-9-12(15-8-14-9)7-13-6-10-2-4-11(16)5-3-10/h2-5,8,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyVWBODNRGBASISN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.71
Rot. Bonds4

About 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol

4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol (PubChem CID 114331453) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol
PubChem CID114331453
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol
SMILESCc1[nH]cnc1CNCc1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-9-12(15-8-14-9)7-13-6-10-2-4-11(16)5-3-10/h2-5,8,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyVWBODNRGBASISN-UHFFFAOYSA-N
XLogP1.71
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol (CID 114331453) is 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol is Cc1[nH]cnc1CNCc1ccc(O)cc1.
What is the InChIKey of 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol?
The InChIKey is VWBODNRGBASISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-12(15-8-14-9)7-13-6-10-2-4-11(16)5-3-10/h2-5,8,13,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol?
4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 114331453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).