(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol

C10H18N2O — CID 134251043

IUPAC(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
SMILESCCCC[C@@H](CO)Cn1ccnc1
InChIInChI=1S/C10H18N2O/c1-2-3-4-10(8-13)7-12-6-5-11-9-12/h5-6,9-10,13H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyIXUUPNYKCVFOKP-SNVBAGLBSA-N
MW182.27 g/mol
LogP1.68
Rot. Bonds6

About (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol

(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol (PubChem CID 134251043) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
PubChem CID134251043
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
SMILESCCCC[C@@H](CO)Cn1ccnc1
InChIInChI=1S/C10H18N2O/c1-2-3-4-10(8-13)7-12-6-5-11-9-12/h5-6,9-10,13H,2-4,7-8H2,1H3/t10-/m1/s1
InChIKeyIXUUPNYKCVFOKP-SNVBAGLBSA-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-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
CID 57057005
2-(4-imidazol-1-ylbutyl)heptan-1-ol
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1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-imidazol-1-ylpentan-2-amine
CID 62041882
1-(2-propylsulfanyldecyl)imidazole
CID 21397909
1-(3-butoxy-2-methoxypropyl)imidazole
CID 163854662
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol?
The IUPAC name of (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol (CID 134251043) is (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol.
What is the SMILES notation for (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol?
The canonical SMILES for (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol is CCCC[C@@H](CO)Cn1ccnc1.
What is the InChIKey of (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol?
The InChIKey is IXUUPNYKCVFOKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-10(8-13)7-12-6-5-11-9-12/h5-6,9-10,13H,2-4,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol?
(2R)-2-(imidazol-1-ylmethyl)hexan-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 (2R)-2-(imidazol-1-ylmethyl)hexan-1-ol is sourced from PubChem (CID 134251043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).