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

C12H22N2O — CID 114865873

IUPAC4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
SMILESCCCC(O)(CCC)Cc1nccn1C
InChIInChI=1S/C12H22N2O/c1-4-6-12(15,7-5-2)10-11-13-8-9-14(11)3/h8-9,15H,4-7,10H2,1-3H3
InChIKeyIIQVOICSVVOIBL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.29
Rot. Bonds6

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

4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol (PubChem CID 114865873) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
PubChem CID114865873
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
SMILESCCCC(O)(CCC)Cc1nccn1C
InChIInChI=1S/C12H22N2O/c1-4-6-12(15,7-5-2)10-11-13-8-9-14(11)3/h8-9,15H,4-7,10H2,1-3H3
InChIKeyIIQVOICSVVOIBL-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol (CID 114865873) is 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol is CCCC(O)(CCC)Cc1nccn1C.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol?
The InChIKey is IIQVOICSVVOIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-12(15,7-5-2)10-11-13-8-9-14(11)3/h8-9,15H,4-7,10H2,1-3H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol?
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol has a molecular weight of 210.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol is sourced from PubChem (CID 114865873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).