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

C12H15N3O2 — CID 79156485

IUPAC[6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
SMILESCc1ccc(OCc2cncn2C)c(CO)n1
InChIInChI=1S/C12H15N3O2/c1-9-3-4-12(11(6-16)14-9)17-7-10-5-13-8-15(10)2/h3-5,8,16H,6-7H2,1-2H3
InChIKeyKVVRLGSKKCIESE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.19
Rot. Bonds4

About [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol

[6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol (PubChem CID 79156485) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
PubChem CID79156485
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
SMILESCc1ccc(OCc2cncn2C)c(CO)n1
InChIInChI=1S/C12H15N3O2/c1-9-3-4-12(11(6-16)14-9)17-7-10-5-13-8-15(10)2/h3-5,8,16H,6-7H2,1-2H3
InChIKeyKVVRLGSKKCIESE-UHFFFAOYSA-N
XLogP1.19
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79159019
[6-methyl-3-[(3-propylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79163082
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679
[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79158019
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79151176
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828
[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol
CID 118157182
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
[6-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79156313
[3-[(2,4-dichlorophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79157833
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol?
The IUPAC name of [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol (CID 79156485) is [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol is Cc1ccc(OCc2cncn2C)c(CO)n1.
What is the InChIKey of [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol?
The InChIKey is KVVRLGSKKCIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-3-4-12(11(6-16)14-9)17-7-10-5-13-8-15(10)2/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol?
[6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-[(3-methylimidazol-4-yl)methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 79156485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).