4-(1-methylimidazol-2-yl)heptan-4-ol

C11H20N2O — CID 114865853

IUPAC4-(1-methylimidazol-2-yl)heptan-4-ol
SMILESCCCC(O)(CCC)c1nccn1C
InChIInChI=1S/C11H20N2O/c1-4-6-11(14,7-5-2)10-12-8-9-13(10)3/h8-9,14H,4-7H2,1-3H3
InChIKeyQFPOTLFOEVIDIN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.21
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)heptan-4-ol

4-(1-methylimidazol-2-yl)heptan-4-ol (PubChem CID 114865853) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)heptan-4-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)heptan-4-ol
PubChem CID114865853
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(1-methylimidazol-2-yl)heptan-4-ol
SMILESCCCC(O)(CCC)c1nccn1C
InChIInChI=1S/C11H20N2O/c1-4-6-11(14,7-5-2)10-12-8-9-13(10)3/h8-9,14H,4-7H2,1-3H3
InChIKeyQFPOTLFOEVIDIN-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-methylimidazol-2-yl)heptan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)heptan-4-ol?
The IUPAC name of 4-(1-methylimidazol-2-yl)heptan-4-ol (CID 114865853) is 4-(1-methylimidazol-2-yl)heptan-4-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)heptan-4-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)heptan-4-ol is CCCC(O)(CCC)c1nccn1C.
What is the InChIKey of 4-(1-methylimidazol-2-yl)heptan-4-ol?
The InChIKey is QFPOTLFOEVIDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-11(14,7-5-2)10-12-8-9-13(10)3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)heptan-4-ol?
4-(1-methylimidazol-2-yl)heptan-4-ol has a molecular weight of 196.29 g/mol, XLogP of 2.21, 5 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)heptan-4-ol is sourced from PubChem (CID 114865853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).