[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol

C11H13N3O2 — CID 66150197

IUPAC[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESCOc1cc(Cn2cncc2CO)ccn1
InChIInChI=1S/C11H13N3O2/c1-16-11-4-9(2-3-13-11)6-14-8-12-5-10(14)7-15/h2-5,8,15H,6-7H2,1H3
InChIKeyUNAYZONZKWFUJZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds4

About [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol

[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol (PubChem CID 66150197) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol
PubChem CID66150197
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESCOc1cc(Cn2cncc2CO)ccn1
InChIInChI=1S/C11H13N3O2/c1-16-11-4-9(2-3-13-11)6-14-8-12-5-10(14)7-15/h2-5,8,15H,6-7H2,1H3
InChIKeyUNAYZONZKWFUJZ-UHFFFAOYSA-N
XLogP0.83
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151600
2-methoxy-4-[(5-piperidin-2-ylimidazol-1-yl)methyl]pyridine
CID 114705840
[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 54016966
3-[(2-methoxy-4-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535534
1-[(2-methoxy-4-pyridinyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 62993708
4-acetyl-1-[(2-methoxy-4-pyridinyl)methyl]pyrrole-2-carboxylic acid
CID 114605251
5-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazole
CID 66151662
(2-methoxy-4-pyridinyl)methylazanium
CID 25323729
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
CID 82744844
ethane;2-methoxy-4-(methoxymethyl)pyridine
CID 156724194
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol (CID 66150197) is [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol is COc1cc(Cn2cncc2CO)ccn1.
What is the InChIKey of [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol?
The InChIKey is UNAYZONZKWFUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-11-4-9(2-3-13-11)6-14-8-12-5-10(14)7-15/h2-5,8,15H,6-7H2,1H3.
What are the key properties of [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol?
[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66150197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).