3-imidazol-1-ylhexan-2-ol

C9H16N2O — CID 174552394

IUPAC3-imidazol-1-ylhexan-2-ol
SMILESCCCC(C(C)O)n1ccnc1
InChIInChI=1S/C9H16N2O/c1-3-4-9(8(2)12)11-6-5-10-7-11/h5-9,12H,3-4H2,1-2H3
InChIKeyIJWGMCKNQLSLFW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.61
Rot. Bonds4

About 3-imidazol-1-ylhexan-2-ol

3-imidazol-1-ylhexan-2-ol (PubChem CID 174552394) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-imidazol-1-ylhexan-2-ol.

Molecular Properties

Compound Name3-imidazol-1-ylhexan-2-ol
PubChem CID174552394
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-imidazol-1-ylhexan-2-ol
SMILESCCCC(C(C)O)n1ccnc1
InChIInChI=1S/C9H16N2O/c1-3-4-9(8(2)12)11-6-5-10-7-11/h5-9,12H,3-4H2,1-2H3
InChIKeyIJWGMCKNQLSLFW-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-imidazol-1-yl-5-(2-methylphenyl)pentan-2-ol
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1-imidazol-1-ylbutane-1-thiol
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1-hexan-3-ylimidazole
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3-imidazol-1-ylhexan-2-yl 2-methylprop-2-enoate;hydrobromide
CID 174774166
4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one
CID 141146679
1-(1-methoxybutyl)imidazole
CID 118061867
1-(1,2-diphenylhexan-3-yl)imidazole
CID 69389171
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
1-octadecan-4-ylimidazole
CID 174516132
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylhexan-2-ol?
The IUPAC name of 3-imidazol-1-ylhexan-2-ol (CID 174552394) is 3-imidazol-1-ylhexan-2-ol.
What is the SMILES notation for 3-imidazol-1-ylhexan-2-ol?
The canonical SMILES for 3-imidazol-1-ylhexan-2-ol is CCCC(C(C)O)n1ccnc1.
What is the InChIKey of 3-imidazol-1-ylhexan-2-ol?
The InChIKey is IJWGMCKNQLSLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-9(8(2)12)11-6-5-10-7-11/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 3-imidazol-1-ylhexan-2-ol?
3-imidazol-1-ylhexan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylhexan-2-ol is sourced from PubChem (CID 174552394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).