3-(1-propylimidazol-2-yl)pentan-3-ol

C11H20N2O — CID 63974999

IUPAC3-(1-propylimidazol-2-yl)pentan-3-ol
SMILESCCCn1ccnc1C(O)(CC)CC
InChIInChI=1S/C11H20N2O/c1-4-8-13-9-7-12-10(13)11(14,5-2)6-3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyYUPUFSZEJWCYPY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds5

About 3-(1-propylimidazol-2-yl)pentan-3-ol

3-(1-propylimidazol-2-yl)pentan-3-ol (PubChem CID 63974999) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(1-propylimidazol-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-propylimidazol-2-yl)pentan-3-ol
PubChem CID63974999
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(1-propylimidazol-2-yl)pentan-3-ol
SMILESCCCn1ccnc1C(O)(CC)CC
InChIInChI=1S/C11H20N2O/c1-4-8-13-9-7-12-10(13)11(14,5-2)6-3/h7,9,14H,4-6,8H2,1-3H3
InChIKeyYUPUFSZEJWCYPY-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
5-methyl-2-[2-(1-propylimidazol-2-yl)propan-2-yl]cyclohexan-1-ol
CID 64766250
dicyclopropyl-(1-pentylimidazol-2-yl)methanol
CID 102490461
1-(3-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanol
CID 63974584
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-chloro-1-propylimidazole
CID 142765750
3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine
CID 81023557
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321

Frequently Asked Questions

What is the IUPAC name of 3-(1-propylimidazol-2-yl)pentan-3-ol?
The IUPAC name of 3-(1-propylimidazol-2-yl)pentan-3-ol (CID 63974999) is 3-(1-propylimidazol-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(1-propylimidazol-2-yl)pentan-3-ol?
The canonical SMILES for 3-(1-propylimidazol-2-yl)pentan-3-ol is CCCn1ccnc1C(O)(CC)CC.
What is the InChIKey of 3-(1-propylimidazol-2-yl)pentan-3-ol?
The InChIKey is YUPUFSZEJWCYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-8-13-9-7-12-10(13)11(14,5-2)6-3/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of 3-(1-propylimidazol-2-yl)pentan-3-ol?
3-(1-propylimidazol-2-yl)pentan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylimidazol-2-yl)pentan-3-ol is sourced from PubChem (CID 63974999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).