1-(2-butyl-1H-imidazol-5-yl)ethanol

C9H16N2O — CID 18950383

IUPAC1-(2-butyl-1H-imidazol-5-yl)ethanol
SMILESCCCCc1ncc(C(C)O)[nH]1
InChIInChI=1S/C9H16N2O/c1-3-4-5-9-10-6-8(11-9)7(2)12/h6-7,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyPHAYRCFNSNULOH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-butyl-1H-imidazol-5-yl)ethanol

1-(2-butyl-1H-imidazol-5-yl)ethanol (PubChem CID 18950383) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-butyl-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-butyl-1H-imidazol-5-yl)ethanol
PubChem CID18950383
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-butyl-1H-imidazol-5-yl)ethanol
SMILESCCCCc1ncc(C(C)O)[nH]1
InChIInChI=1S/C9H16N2O/c1-3-4-5-9-10-6-8(11-9)7(2)12/h6-7,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyPHAYRCFNSNULOH-UHFFFAOYSA-N
XLogP1.81
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-1H-imidazol-5-yl)ethanol?
The IUPAC name of 1-(2-butyl-1H-imidazol-5-yl)ethanol (CID 18950383) is 1-(2-butyl-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-butyl-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 1-(2-butyl-1H-imidazol-5-yl)ethanol is CCCCc1ncc(C(C)O)[nH]1.
What is the InChIKey of 1-(2-butyl-1H-imidazol-5-yl)ethanol?
The InChIKey is PHAYRCFNSNULOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-5-9-10-6-8(11-9)7(2)12/h6-7,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-(2-butyl-1H-imidazol-5-yl)ethanol?
1-(2-butyl-1H-imidazol-5-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 18950383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).