3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol

C16H30N2O — CID 134859017

IUPAC3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol
SMILESCCCCCCC(C)n1ccnc1C(O)(CC)CC
InChIInChI=1S/C16H30N2O/c1-5-8-9-10-11-14(4)18-13-12-17-15(18)16(19,6-2)7-3/h12-14,19H,5-11H2,1-4H3
InChIKeyXWGZAKFCPPTANP-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.42
Rot. Bonds9

About 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol

3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol (PubChem CID 134859017) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol
PubChem CID134859017
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol
SMILESCCCCCCC(C)n1ccnc1C(O)(CC)CC
InChIInChI=1S/C16H30N2O/c1-5-8-9-10-11-14(4)18-13-12-17-15(18)16(19,6-2)7-3/h12-14,19H,5-11H2,1-4H3
InChIKeyXWGZAKFCPPTANP-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Decyl-2-methylimidazol-3-ium-1-yl)ethanol bromide
CID 168278777
4-(1-Methyl-1H-imidazol-2-yl)piperidin-4-ol
CID 6483922
4-[(dimethylamino)methyl]-1-[(1-propyl-1H-imidazol-2-yl)methyl]-4-azepanol
CID 56901348
Imidazole-1-ethanol, 2-heptadecyl-
CID 238961
1-Decyl-1H-imidazole-2-methanol
CID 14452952
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
3-(1-Methylimidazol-2-yl)pentan-3-ol
CID 63975988
1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
2,2-Dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
CID 102490463
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
2,2-Dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol
CID 102490466
3-(1-Cyclohexylimidazol-2-yl)pentan-3-ol
CID 102490470

Frequently Asked Questions

What is the IUPAC name of 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol?
The IUPAC name of 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol (CID 134859017) is 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol?
The canonical SMILES for 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol is CCCCCCC(C)n1ccnc1C(O)(CC)CC.
What is the InChIKey of 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol?
The InChIKey is XWGZAKFCPPTANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-8-9-10-11-14(4)18-13-12-17-15(18)16(19,6-2)7-3/h12-14,19H,5-11H2,1-4H3.
What are the key properties of 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol?
3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol has a molecular weight of 266.43 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-octan-2-ylimidazol-2-yl)pentan-3-ol is sourced from PubChem (CID 134859017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).