2-(1H-imidazol-5-yl)-3-methylpentan-1-ol

C9H16N2O — CID 138636606

IUPAC2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)c1cnc[nH]1
InChIInChI=1S/C9H16N2O/c1-3-7(2)8(5-12)9-4-10-6-11-9/h4,6-8,12H,3,5H2,1-2H3,(H,10,11)
InChIKeyRSVZVJMADYRJJY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.53
Rot. Bonds4

About 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol

2-(1H-imidazol-5-yl)-3-methylpentan-1-ol (PubChem CID 138636606) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
PubChem CID138636606
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)c1cnc[nH]1
InChIInChI=1S/C9H16N2O/c1-3-7(2)8(5-12)9-4-10-6-11-9/h4,6-8,12H,3,5H2,1-2H3,(H,10,11)
InChIKeyRSVZVJMADYRJJY-UHFFFAOYSA-N
XLogP1.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
1-(1H-imidazol-5-yl)ethane-1,2-diol
CID 54365092
ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one
CID 143876657
(1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol
CID 10608838
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
5-octan-3-yl-1H-imidazole
CID 57097336
(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
3-(1H-imidazol-5-yl)butylphosphonic acid
CID 132937842
5-nonan-3-yl-1H-imidazole
CID 155076171
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol?
The IUPAC name of 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol (CID 138636606) is 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol?
The canonical SMILES for 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol is CCC(C)C(CO)c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol?
The InChIKey is RSVZVJMADYRJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-7(2)8(5-12)9-4-10-6-11-9/h4,6-8,12H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol?
2-(1H-imidazol-5-yl)-3-methylpentan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 138636606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).