6-imidazol-1-yl-3-methylhexan-1-ol

C10H18N2O — CID 144712002

IUPAC6-imidazol-1-yl-3-methylhexan-1-ol
SMILESCC(CCO)CCCn1ccnc1
InChIInChI=1S/C10H18N2O/c1-10(4-8-13)3-2-6-12-7-5-11-9-12/h5,7,9-10,13H,2-4,6,8H2,1H3
InChIKeyFWFHXKPTLCANQZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.68
Rot. Bonds6

About 6-imidazol-1-yl-3-methylhexan-1-ol

6-imidazol-1-yl-3-methylhexan-1-ol (PubChem CID 144712002) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 6-imidazol-1-yl-3-methylhexan-1-ol.

Molecular Properties

Compound Name6-imidazol-1-yl-3-methylhexan-1-ol
PubChem CID144712002
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name6-imidazol-1-yl-3-methylhexan-1-ol
SMILESCC(CCO)CCCn1ccnc1
InChIInChI=1S/C10H18N2O/c1-10(4-8-13)3-2-6-12-7-5-11-9-12/h5,7,9-10,13H,2-4,6,8H2,1H3
InChIKeyFWFHXKPTLCANQZ-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
6-imidazol-1-ylhexan-3-ol
CID 106802503
(3S)-8-imidazol-1-yl-3-methyloctanoic acid;hydrochloride
CID 70550250
1-(3,6-dimethylheptyl)imidazole
CID 143241697
1-(7-methyloctyl)imidazole
CID 59001100
2-imidazol-1-ylethanol
CID 159023310
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-(3-imidazol-1-ylpropylsulfanyl)ethanol
CID 61492872
5-imidazol-1-yl-2-(methylamino)pentanoic acid
CID 174175752

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-3-methylhexan-1-ol?
The IUPAC name of 6-imidazol-1-yl-3-methylhexan-1-ol (CID 144712002) is 6-imidazol-1-yl-3-methylhexan-1-ol.
What is the SMILES notation for 6-imidazol-1-yl-3-methylhexan-1-ol?
The canonical SMILES for 6-imidazol-1-yl-3-methylhexan-1-ol is CC(CCO)CCCn1ccnc1.
What is the InChIKey of 6-imidazol-1-yl-3-methylhexan-1-ol?
The InChIKey is FWFHXKPTLCANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(4-8-13)3-2-6-12-7-5-11-9-12/h5,7,9-10,13H,2-4,6,8H2,1H3.
What are the key properties of 6-imidazol-1-yl-3-methylhexan-1-ol?
6-imidazol-1-yl-3-methylhexan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-3-methylhexan-1-ol is sourced from PubChem (CID 144712002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).