(5-methoxy-3-methylimidazol-4-yl)methanol

C6H10N2O2 — CID 172593279

IUPAC(5-methoxy-3-methylimidazol-4-yl)methanol
SMILESCOc1ncn(C)c1CO
InChIInChI=1S/C6H10N2O2/c1-8-4-7-6(10-2)5(8)3-9/h4,9H,3H2,1-2H3
InChIKeyWVDNRWBDBWDREG-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.08
Rot. Bonds2

About (5-methoxy-3-methylimidazol-4-yl)methanol

(5-methoxy-3-methylimidazol-4-yl)methanol (PubChem CID 172593279) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (5-methoxy-3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-3-methylimidazol-4-yl)methanol
PubChem CID172593279
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(5-methoxy-3-methylimidazol-4-yl)methanol
SMILESCOc1ncn(C)c1CO
InChIInChI=1S/C6H10N2O2/c1-8-4-7-6(10-2)5(8)3-9/h4,9H,3H2,1-2H3
InChIKeyWVDNRWBDBWDREG-UHFFFAOYSA-N
XLogP-0.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methylimidazol-4-yl)methanol?
The IUPAC name of (5-methoxy-3-methylimidazol-4-yl)methanol (CID 172593279) is (5-methoxy-3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (5-methoxy-3-methylimidazol-4-yl)methanol?
The canonical SMILES for (5-methoxy-3-methylimidazol-4-yl)methanol is COc1ncn(C)c1CO.
What is the InChIKey of (5-methoxy-3-methylimidazol-4-yl)methanol?
The InChIKey is WVDNRWBDBWDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8-4-7-6(10-2)5(8)3-9/h4,9H,3H2,1-2H3.
What are the key properties of (5-methoxy-3-methylimidazol-4-yl)methanol?
(5-methoxy-3-methylimidazol-4-yl)methanol has a molecular weight of 142.16 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 172593279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).