3,4-dibutyl-1-propan-2-yl-2H-imidazole

C14H28N2 — CID 141499001

IUPAC3,4-dibutyl-1-propan-2-yl-2H-imidazole
SMILESCCCCC1=CN(C(C)C)CN1CCCC
InChIInChI=1S/C14H28N2/c1-5-7-9-14-11-16(13(3)4)12-15(14)10-8-6-2/h11,13H,5-10,12H2,1-4H3
InChIKeyWDRVBQJSOUTVEB-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.80
Rot. Bonds7

About 3,4-dibutyl-1-propan-2-yl-2H-imidazole

3,4-dibutyl-1-propan-2-yl-2H-imidazole (PubChem CID 141499001) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,4-dibutyl-1-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name3,4-dibutyl-1-propan-2-yl-2H-imidazole
PubChem CID141499001
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3,4-dibutyl-1-propan-2-yl-2H-imidazole
SMILESCCCCC1=CN(C(C)C)CN1CCCC
InChIInChI=1S/C14H28N2/c1-5-7-9-14-11-16(13(3)4)12-15(14)10-8-6-2/h11,13H,5-10,12H2,1-4H3
InChIKeyWDRVBQJSOUTVEB-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4-triethyl-2-methyl-2H-imidazole
CID 21977213
3,4-diethyl-1-methyl-2H-imidazole
CID 21977214
1,4-diethyl-3-methyl-2H-imidazole
CID 21977233
1,4-diethyl-2,3-dimethyl-2H-imidazole
CID 21977240
2,4-diethyl-1,3-dimethyl-2H-imidazole
CID 21977248
2,3,4-triethyl-1-methyl-2H-imidazole
CID 21977269
1,2,3,4-tetraethyl-2H-imidazole
CID 21977287
3,4-diethyl-1,2-dimethyl-2H-imidazole
CID 21977314
1,3,4-triethyl-2H-imidazole
CID 21977318
1,2,4-triethyl-3-methyl-2H-imidazole
CID 21977349
4-ethyl-1,2,3-trimethyl-2H-imidazole
CID 21977350
1,3-Dimethyl-4-pentylimidazole-2-thione
CID 22158435

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-1-propan-2-yl-2H-imidazole?
The IUPAC name of 3,4-dibutyl-1-propan-2-yl-2H-imidazole (CID 141499001) is 3,4-dibutyl-1-propan-2-yl-2H-imidazole.
What is the SMILES notation for 3,4-dibutyl-1-propan-2-yl-2H-imidazole?
The canonical SMILES for 3,4-dibutyl-1-propan-2-yl-2H-imidazole is CCCCC1=CN(C(C)C)CN1CCCC.
What is the InChIKey of 3,4-dibutyl-1-propan-2-yl-2H-imidazole?
The InChIKey is WDRVBQJSOUTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-7-9-14-11-16(13(3)4)12-15(14)10-8-6-2/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 3,4-dibutyl-1-propan-2-yl-2H-imidazole?
3,4-dibutyl-1-propan-2-yl-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-1-propan-2-yl-2H-imidazole is sourced from PubChem (CID 141499001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).