2-(3-butyl-2H-imidazol-1-yl)ethanol

C9H18N2O — CID 52911375

IUPAC2-(3-butyl-2H-imidazol-1-yl)ethanol
SMILESCCCCN1C=CN(CCO)C1
InChIInChI=1S/C9H18N2O/c1-2-3-4-10-5-6-11(9-10)7-8-12/h5-6,12H,2-4,7-9H2,1H3
InChIKeyJDNATXSPXUDCPO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.83
Rot. Bonds5

About 2-(3-butyl-2H-imidazol-1-yl)ethanol

2-(3-butyl-2H-imidazol-1-yl)ethanol (PubChem CID 52911375) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(3-butyl-2H-imidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-butyl-2H-imidazol-1-yl)ethanol
PubChem CID52911375
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(3-butyl-2H-imidazol-1-yl)ethanol
SMILESCCCCN1C=CN(CCO)C1
InChIInChI=1S/C9H18N2O/c1-2-3-4-10-5-6-11(9-10)7-8-12/h5-6,12H,2-4,7-9H2,1H3
InChIKeyJDNATXSPXUDCPO-UHFFFAOYSA-N
XLogP0.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)ethanol?
The IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)ethanol (CID 52911375) is 2-(3-butyl-2H-imidazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-butyl-2H-imidazol-1-yl)ethanol?
The canonical SMILES for 2-(3-butyl-2H-imidazol-1-yl)ethanol is CCCCN1C=CN(CCO)C1.
What is the InChIKey of 2-(3-butyl-2H-imidazol-1-yl)ethanol?
The InChIKey is JDNATXSPXUDCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-10-5-6-11(9-10)7-8-12/h5-6,12H,2-4,7-9H2,1H3.
What are the key properties of 2-(3-butyl-2H-imidazol-1-yl)ethanol?
2-(3-butyl-2H-imidazol-1-yl)ethanol has a molecular weight of 170.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2H-imidazol-1-yl)ethanol is sourced from PubChem (CID 52911375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).