4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol

C13H22N2O2 — CID 79744326

IUPAC4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(Cc2nccn2C)CCO1
InChIInChI=1S/C13H22N2O2/c1-10(2)11-8-13(16,4-7-17-11)9-12-14-5-6-15(12)3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyOGCRQQDTULXKFK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.53
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol

4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol (PubChem CID 79744326) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
PubChem CID79744326
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(Cc2nccn2C)CCO1
InChIInChI=1S/C13H22N2O2/c1-10(2)11-8-13(16,4-7-17-11)9-12-14-5-6-15(12)3/h5-6,10-11,16H,4,7-9H2,1-3H3
InChIKeyOGCRQQDTULXKFK-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propan-2-yloxan-4-ol
CID 64786024
4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
4-(cyclopentylmethyl)-2-propan-2-yloxan-4-ol
CID 65148777
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 79743850

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol (CID 79744326) is 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol is CC(C)C1CC(O)(Cc2nccn2C)CCO1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol?
The InChIKey is OGCRQQDTULXKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)11-8-13(16,4-7-17-11)9-12-14-5-6-15(12)3/h5-6,10-11,16H,4,7-9H2,1-3H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol?
4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol has a molecular weight of 238.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 79744326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).