5-chloro-2-heptyl-3-methylimidazol-4-ol

C11H19ClN2O — CID 70398269

IUPAC5-chloro-2-heptyl-3-methylimidazol-4-ol
SMILESCCCCCCCc1nc(Cl)c(O)n1C
InChIInChI=1S/C11H19ClN2O/c1-3-4-5-6-7-8-9-13-10(12)11(15)14(9)2/h15H,3-8H2,1-2H3
InChIKeyKTFXWWSTGXWLFY-UHFFFAOYSA-N
MW230.74 g/mol
LogP3.29
Rot. Bonds6

About 5-chloro-2-heptyl-3-methylimidazol-4-ol

5-chloro-2-heptyl-3-methylimidazol-4-ol (PubChem CID 70398269) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 5-chloro-2-heptyl-3-methylimidazol-4-ol.

Molecular Properties

Compound Name5-chloro-2-heptyl-3-methylimidazol-4-ol
PubChem CID70398269
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name5-chloro-2-heptyl-3-methylimidazol-4-ol
SMILESCCCCCCCc1nc(Cl)c(O)n1C
InChIInChI=1S/C11H19ClN2O/c1-3-4-5-6-7-8-9-13-10(12)11(15)14(9)2/h15H,3-8H2,1-2H3
InChIKeyKTFXWWSTGXWLFY-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-heptyl-3-methylimidazol-4-ol?
The IUPAC name of 5-chloro-2-heptyl-3-methylimidazol-4-ol (CID 70398269) is 5-chloro-2-heptyl-3-methylimidazol-4-ol.
What is the SMILES notation for 5-chloro-2-heptyl-3-methylimidazol-4-ol?
The canonical SMILES for 5-chloro-2-heptyl-3-methylimidazol-4-ol is CCCCCCCc1nc(Cl)c(O)n1C.
What is the InChIKey of 5-chloro-2-heptyl-3-methylimidazol-4-ol?
The InChIKey is KTFXWWSTGXWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-3-4-5-6-7-8-9-13-10(12)11(15)14(9)2/h15H,3-8H2,1-2H3.
What are the key properties of 5-chloro-2-heptyl-3-methylimidazol-4-ol?
5-chloro-2-heptyl-3-methylimidazol-4-ol has a molecular weight of 230.74 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-heptyl-3-methylimidazol-4-ol is sourced from PubChem (CID 70398269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).