2-butyl-4,5-dihydro-1H-imidazole

C7H14N2 — CID 25284

IUPAC2-butyl-4,5-dihydro-1H-imidazole
SMILESCCCCC1=NCCN1
InChIInChI=1S/C7H14N2/c1-2-3-4-7-8-5-6-9-7/h2-6H2,1H3,(H,8,9)
InChIKeyXTRFSGCFRISMDG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.18
Rot. Bonds3

About 2-butyl-4,5-dihydro-1H-imidazole

2-butyl-4,5-dihydro-1H-imidazole (PubChem CID 25284) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-butyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-butyl-4,5-dihydro-1H-imidazole
PubChem CID25284
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-butyl-4,5-dihydro-1H-imidazole
SMILESCCCCC1=NCCN1
InChIInChI=1S/C7H14N2/c1-2-3-4-7-8-5-6-9-7/h2-6H2,1H3,(H,8,9)
InChIKeyXTRFSGCFRISMDG-UHFFFAOYSA-N
XLogP1.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-butyl-4,5-dihydro-1H-imidazole (CID 25284) is 2-butyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-butyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-butyl-4,5-dihydro-1H-imidazole is CCCCC1=NCCN1.
What is the InChIKey of 2-butyl-4,5-dihydro-1H-imidazole?
The InChIKey is XTRFSGCFRISMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-7-8-5-6-9-7/h2-6H2,1H3,(H,8,9).
What are the key properties of 2-butyl-4,5-dihydro-1H-imidazole?
2-butyl-4,5-dihydro-1H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 25284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).