1-(3-methyl-2-propylimidazol-4-yl)ethanol

C9H16N2O — CID 58958476

IUPAC1-(3-methyl-2-propylimidazol-4-yl)ethanol
SMILESCCCc1ncc(C(C)O)n1C
InChIInChI=1S/C9H16N2O/c1-4-5-9-10-6-8(7(2)12)11(9)3/h6-7,12H,4-5H2,1-3H3
InChIKeyMOQLYCOGRIZJQB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.43
Rot. Bonds3

About 1-(3-methyl-2-propylimidazol-4-yl)ethanol

1-(3-methyl-2-propylimidazol-4-yl)ethanol (PubChem CID 58958476) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-methyl-2-propylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-2-propylimidazol-4-yl)ethanol
PubChem CID58958476
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3-methyl-2-propylimidazol-4-yl)ethanol
SMILESCCCc1ncc(C(C)O)n1C
InChIInChI=1S/C9H16N2O/c1-4-5-9-10-6-8(7(2)12)11(9)3/h6-7,12H,4-5H2,1-3H3
InChIKeyMOQLYCOGRIZJQB-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propylimidazol-4-yl)ethanol?
The IUPAC name of 1-(3-methyl-2-propylimidazol-4-yl)ethanol (CID 58958476) is 1-(3-methyl-2-propylimidazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-2-propylimidazol-4-yl)ethanol?
The canonical SMILES for 1-(3-methyl-2-propylimidazol-4-yl)ethanol is CCCc1ncc(C(C)O)n1C.
What is the InChIKey of 1-(3-methyl-2-propylimidazol-4-yl)ethanol?
The InChIKey is MOQLYCOGRIZJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-9-10-6-8(7(2)12)11(9)3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1-(3-methyl-2-propylimidazol-4-yl)ethanol?
1-(3-methyl-2-propylimidazol-4-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propylimidazol-4-yl)ethanol is sourced from PubChem (CID 58958476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).