3-butyl-1,2-dihydroimidazole

C7H14N2 — CID 18793678

IUPAC3-butyl-1,2-dihydroimidazole
SMILESCCCCN1C=CNC1
InChIInChI=1S/C7H14N2/c1-2-3-5-9-6-4-8-7-9/h4,6,8H,2-3,5,7H2,1H3
InChIKeyQBRFAFGCHZMCPZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.12
Rot. Bonds3

About 3-butyl-1,2-dihydroimidazole

3-butyl-1,2-dihydroimidazole (PubChem CID 18793678) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-butyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-butyl-1,2-dihydroimidazole
PubChem CID18793678
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-butyl-1,2-dihydroimidazole
SMILESCCCCN1C=CNC1
InChIInChI=1S/C7H14N2/c1-2-3-5-9-6-4-8-7-9/h4,6,8H,2-3,5,7H2,1H3
InChIKeyQBRFAFGCHZMCPZ-UHFFFAOYSA-N
XLogP1.12
TPSA15.27 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2-dihydroimidazole?
The IUPAC name of 3-butyl-1,2-dihydroimidazole (CID 18793678) is 3-butyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-butyl-1,2-dihydroimidazole?
The canonical SMILES for 3-butyl-1,2-dihydroimidazole is CCCCN1C=CNC1.
What is the InChIKey of 3-butyl-1,2-dihydroimidazole?
The InChIKey is QBRFAFGCHZMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-5-9-6-4-8-7-9/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 3-butyl-1,2-dihydroimidazole?
3-butyl-1,2-dihydroimidazole has a molecular weight of 126.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2-dihydroimidazole is sourced from PubChem (CID 18793678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).