2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide

C8H17BrN2O — CID 175034408

IUPAC2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide
SMILESBr.CCCN1C=CN(CCO)C1
InChIInChI=1S/C8H16N2O.BrH/c1-2-3-9-4-5-10(8-9)6-7-11;/h4-5,11H,2-3,6-8H2,1H3;1H
InChIKeyWYCYIGHJGMHBIT-UHFFFAOYSA-N
MW237.14 g/mol
LogP1.01
Rot. Bonds4

About 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide

2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide (PubChem CID 175034408) has the molecular formula C8H17BrN2O and a molecular weight of 237.14 g/mol. Its IUPAC name is 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide
PubChem CID175034408
Molecular FormulaC8H17BrN2O
Molecular Weight237.14 g/mol
Exact Mass236.05
IUPAC Name2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide
SMILESBr.CCCN1C=CN(CCO)C1
InChIInChI=1S/C8H16N2O.BrH/c1-2-3-9-4-5-10(8-9)6-7-11;/h4-5,11H,2-3,6-8H2,1H3;1H
InChIKeyWYCYIGHJGMHBIT-UHFFFAOYSA-N
XLogP1.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide?
The IUPAC name of 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide (CID 175034408) is 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide is Br.CCCN1C=CN(CCO)C1.
What is the InChIKey of 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide?
The InChIKey is WYCYIGHJGMHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.BrH/c1-2-3-9-4-5-10(8-9)6-7-11;/h4-5,11H,2-3,6-8H2,1H3;1H.
What are the key properties of 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide?
2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide has a molecular weight of 237.14 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-2H-imidazol-1-yl)ethanol;hydrobromide is sourced from PubChem (CID 175034408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).