1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol

C12H18N4O — CID 107978538

IUPAC1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1cn(C)cn1
InChIInChI=1S/C12H18N4O/c1-3-5-16-6-4-13-12(16)7-11(17)10-8-15(2)9-14-10/h4,6,8-9,11,17H,3,5,7H2,1-2H3
InChIKeyIFGOTESAPHGVKT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds5

About 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol

1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 107978538) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID107978538
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1cn(C)cn1
InChIInChI=1S/C12H18N4O/c1-3-5-16-6-4-13-12(16)7-11(17)10-8-15(2)9-14-10/h4,6,8-9,11,17H,3,5,7H2,1-2H3
InChIKeyIFGOTESAPHGVKT-UHFFFAOYSA-N
XLogP1.30
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116
3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 79752739
1-(2,6-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744137
1-(5-chlorofuran-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 106693891
1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 114239445
2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978156
1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 107538543
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanol
CID 79752733
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol (CID 107978538) is 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is IFGOTESAPHGVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-5-16-6-4-13-12(16)7-11(17)10-8-15(2)9-14-10/h4,6,8-9,11,17H,3,5,7H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol?
1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 107978538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).