2-butyl-2H-imidazole

C7H12N2 — CID 15458428

IUPAC2-butyl-2H-imidazole
SMILESCCCCC1N=CC=N1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-7H,2-4H2,1H3
InChIKeyRXKKTUDOZDXHFG-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.66
Rot. Bonds3

About 2-butyl-2H-imidazole

2-butyl-2H-imidazole (PubChem CID 15458428) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-butyl-2H-imidazole.

Molecular Properties

Compound Name2-butyl-2H-imidazole
PubChem CID15458428
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-butyl-2H-imidazole
SMILESCCCCC1N=CC=N1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-7H,2-4H2,1H3
InChIKeyRXKKTUDOZDXHFG-UHFFFAOYSA-N
XLogP1.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2H-imidazole?
The IUPAC name of 2-butyl-2H-imidazole (CID 15458428) is 2-butyl-2H-imidazole.
What is the SMILES notation for 2-butyl-2H-imidazole?
The canonical SMILES for 2-butyl-2H-imidazole is CCCCC1N=CC=N1.
What is the InChIKey of 2-butyl-2H-imidazole?
The InChIKey is RXKKTUDOZDXHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-7H,2-4H2,1H3.
What are the key properties of 2-butyl-2H-imidazole?
2-butyl-2H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2H-imidazole is sourced from PubChem (CID 15458428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).