1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol

C13H18N4O — CID 79744805

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1cncn1C1CC1
InChIInChI=1S/C13H18N4O/c1-2-16-6-5-15-13(16)7-12(18)11-8-14-9-17(11)10-3-4-10/h5-6,8-10,12,18H,2-4,7H2,1H3
InChIKeyXXNNKUADUOMRAZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.71
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol

1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 79744805) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID79744805
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1cncn1C1CC1
InChIInChI=1S/C13H18N4O/c1-2-16-6-5-15-13(16)7-12(18)11-8-14-9-17(11)10-3-4-10/h5-6,8-10,12,18H,2-4,7H2,1H3
InChIKeyXXNNKUADUOMRAZ-UHFFFAOYSA-N
XLogP1.71
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79744158
(3-cyclopropylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
CID 66140856
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 66142465
1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66139864
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
1-(4-cyclopropylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79980251
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
2-(1-ethylimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105112266
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol
CID 66140648
ethyl 4-(3-cyclopropylimidazol-4-yl)-4-hydroxybutanoate
CID 66162909
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105112405
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol (CID 79744805) is 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is XXNNKUADUOMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-16-6-5-15-13(16)7-12(18)11-8-14-9-17(11)10-3-4-10/h5-6,8-10,12,18H,2-4,7H2,1H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 79744805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).