2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol

C12H22N2O — CID 118328936

IUPAC2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol
SMILESCCCc1nc(C(C)(C)O)c(CC)n1C
InChIInChI=1S/C12H22N2O/c1-6-8-10-13-11(12(3,4)15)9(7-2)14(10)5/h15H,6-8H2,1-5H3
InChIKeyVHJISTPJGNINDF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.16
Rot. Bonds4

About 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol

2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol (PubChem CID 118328936) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol
PubChem CID118328936
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol
SMILESCCCc1nc(C(C)(C)O)c(CC)n1C
InChIInChI=1S/C12H22N2O/c1-6-8-10-13-11(12(3,4)15)9(7-2)14(10)5/h15H,6-8H2,1-5H3
InChIKeyVHJISTPJGNINDF-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-3-methyl-2-propylimidazol-4-amine
CID 62218689
4-tert-butyl-2-propylimidazole-1,5-diamine
CID 62506102
2,4,5-triethyl-1-methylimidazole
CID 141155597
[2-heptadecyl-5-(hydroxymethyl)-1-methylimidazol-4-yl]methanol
CID 141279049
1,4-dimethyl-5-pentan-3-yl-2-propylimidazole
CID 175255669
5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 62221052
tert-butyl 2-[4-[[2,5-diethyl-4-(2-hydroxypropan-2-yl)imidazol-1-yl]methyl]phenyl]benzoate
CID 150987455
2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol
CID 129085390
1,5-dimethyl-4-phenyl-2-propylimidazole
CID 45097384
3-[[4-[4-[1-[2-(hydroxyamino)ethyl]tetrazol-5-yl]phenyl]phenyl]methyl]-5-(2-hydroxypropan-2-yl)-2-propylimidazole-4-carboxamide
CID 176895040
3,7-dimethyl-1-(2-oxopropyl)-8-propyl-2-sulfanylidenepurin-6-one
CID 138402932
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol?
The IUPAC name of 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol (CID 118328936) is 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol is CCCc1nc(C(C)(C)O)c(CC)n1C.
What is the InChIKey of 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol?
The InChIKey is VHJISTPJGNINDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-8-10-13-11(12(3,4)15)9(7-2)14(10)5/h15H,6-8H2,1-5H3.
What are the key properties of 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol?
2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol is sourced from PubChem (CID 118328936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).