1,3-dibutyl-2H-imidazole

C11H22N2 — CID 21458258

IUPAC1,3-dibutyl-2H-imidazole
SMILESCCCCN1C=CN(CCCC)C1
InChIInChI=1S/C11H22N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h9-10H,3-8,11H2,1-2H3
InChIKeySGZJDICMAIEXMR-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.63
Rot. Bonds6

About 1,3-dibutyl-2H-imidazole

1,3-dibutyl-2H-imidazole (PubChem CID 21458258) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,3-dibutyl-2H-imidazole.

Molecular Properties

Compound Name1,3-dibutyl-2H-imidazole
PubChem CID21458258
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1,3-dibutyl-2H-imidazole
SMILESCCCCN1C=CN(CCCC)C1
InChIInChI=1S/C11H22N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h9-10H,3-8,11H2,1-2H3
InChIKeySGZJDICMAIEXMR-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2H-imidazole?
The IUPAC name of 1,3-dibutyl-2H-imidazole (CID 21458258) is 1,3-dibutyl-2H-imidazole.
What is the SMILES notation for 1,3-dibutyl-2H-imidazole?
The canonical SMILES for 1,3-dibutyl-2H-imidazole is CCCCN1C=CN(CCCC)C1.
What is the InChIKey of 1,3-dibutyl-2H-imidazole?
The InChIKey is SGZJDICMAIEXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 1,3-dibutyl-2H-imidazole?
1,3-dibutyl-2H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2H-imidazole is sourced from PubChem (CID 21458258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).