6-imidazol-1-ylhexan-3-ol

C9H16N2O — CID 106802503

IUPAC6-imidazol-1-ylhexan-3-ol
SMILESCCC(O)CCCn1ccnc1
InChIInChI=1S/C9H16N2O/c1-2-9(12)4-3-6-11-7-5-10-8-11/h5,7-9,12H,2-4,6H2,1H3
InChIKeyFJFZYUORPQZTNJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.43
Rot. Bonds5

About 6-imidazol-1-ylhexan-3-ol

6-imidazol-1-ylhexan-3-ol (PubChem CID 106802503) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-imidazol-1-ylhexan-3-ol.

Molecular Properties

Compound Name6-imidazol-1-ylhexan-3-ol
PubChem CID106802503
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name6-imidazol-1-ylhexan-3-ol
SMILESCCC(O)CCCn1ccnc1
InChIInChI=1S/C9H16N2O/c1-2-9(12)4-3-6-11-7-5-10-8-11/h5,7-9,12H,2-4,6H2,1H3
InChIKeyFJFZYUORPQZTNJ-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5S)-1-imidazol-1-yldecan-5-ol
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(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251
2-fluoro-5-imidazol-1-ylpentanal
CID 55266749
sodium;1-butylimidazole;bromide
CID 175480877
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653
1-(7-methyloctyl)imidazole
CID 59001100
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-ylhexan-3-ol?
The IUPAC name of 6-imidazol-1-ylhexan-3-ol (CID 106802503) is 6-imidazol-1-ylhexan-3-ol.
What is the SMILES notation for 6-imidazol-1-ylhexan-3-ol?
The canonical SMILES for 6-imidazol-1-ylhexan-3-ol is CCC(O)CCCn1ccnc1.
What is the InChIKey of 6-imidazol-1-ylhexan-3-ol?
The InChIKey is FJFZYUORPQZTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-9(12)4-3-6-11-7-5-10-8-11/h5,7-9,12H,2-4,6H2,1H3.
What are the key properties of 6-imidazol-1-ylhexan-3-ol?
6-imidazol-1-ylhexan-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-ylhexan-3-ol is sourced from PubChem (CID 106802503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).