1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol

C12H22N2O — CID 115799892

IUPAC1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1nccn1C
InChIInChI=1S/C12H22N2O/c1-4-6-10(7-5-2)11(15)12-13-8-9-14(12)3/h8-11,15H,4-7H2,1-3H3
InChIKeyKNIDBKPFJAECQM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.67
Rot. Bonds6

About 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol

1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol (PubChem CID 115799892) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
PubChem CID115799892
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1nccn1C
InChIInChI=1S/C12H22N2O/c1-4-6-10(7-5-2)11(15)12-13-8-9-14(12)3/h8-11,15H,4-7H2,1-3H3
InChIKeyKNIDBKPFJAECQM-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromobutyl)-1-methylimidazole
CID 175381237
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928
1-(1-methylimidazol-2-yl)butane-1-sulfonic acid
CID 118491862
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol
CID 116502502
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-methyl-2-pentan-3-ylimidazole
CID 89261277
2-decan-5-yl-1-methylimidazole
CID 135217087
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
CID 79954074

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol (CID 115799892) is 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol is CCCC(CCC)C(O)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol?
The InChIKey is KNIDBKPFJAECQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-10(7-5-2)11(15)12-13-8-9-14(12)3/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol?
1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol is sourced from PubChem (CID 115799892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).