7-(1-methylimidazol-2-yl)heptan-3-ol

C11H20N2O — CID 114532166

IUPAC7-(1-methylimidazol-2-yl)heptan-3-ol
SMILESCCC(O)CCCCc1nccn1C
InChIInChI=1S/C11H20N2O/c1-3-10(14)6-4-5-7-11-12-8-9-13(11)2/h8-10,14H,3-7H2,1-2H3
InChIKeyWULMUDAIAMEZHJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.90
Rot. Bonds6

About 7-(1-methylimidazol-2-yl)heptan-3-ol

7-(1-methylimidazol-2-yl)heptan-3-ol (PubChem CID 114532166) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-(1-methylimidazol-2-yl)heptan-3-ol.

Molecular Properties

Compound Name7-(1-methylimidazol-2-yl)heptan-3-ol
PubChem CID114532166
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name7-(1-methylimidazol-2-yl)heptan-3-ol
SMILESCCC(O)CCCCc1nccn1C
InChIInChI=1S/C11H20N2O/c1-3-10(14)6-4-5-7-11-12-8-9-13(11)2/h8-10,14H,3-7H2,1-2H3
InChIKeyWULMUDAIAMEZHJ-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.90
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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Related Compounds

8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-butyl-1-methylimidazole;fluoroform
CID 162050255
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
2-(4-bromohexyl)-1-methylimidazole
CID 79762311
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylimidazol-2-yl)heptan-3-ol?
The IUPAC name of 7-(1-methylimidazol-2-yl)heptan-3-ol (CID 114532166) is 7-(1-methylimidazol-2-yl)heptan-3-ol.
What is the SMILES notation for 7-(1-methylimidazol-2-yl)heptan-3-ol?
The canonical SMILES for 7-(1-methylimidazol-2-yl)heptan-3-ol is CCC(O)CCCCc1nccn1C.
What is the InChIKey of 7-(1-methylimidazol-2-yl)heptan-3-ol?
The InChIKey is WULMUDAIAMEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-10(14)6-4-5-7-11-12-8-9-13(11)2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 7-(1-methylimidazol-2-yl)heptan-3-ol?
7-(1-methylimidazol-2-yl)heptan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylimidazol-2-yl)heptan-3-ol is sourced from PubChem (CID 114532166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).