2-butan-2-yl-2,5-dihydro-1H-imidazole

C7H14N2 — CID 20632606

IUPAC2-butan-2-yl-2,5-dihydro-1H-imidazole
SMILESCCC(C)C1N=CCN1
InChIInChI=1S/C7H14N2/c1-3-6(2)7-8-4-5-9-7/h4,6-7,9H,3,5H2,1-2H3
InChIKeyGVSZAGGPVWDYFB-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.03
Rot. Bonds2

About 2-butan-2-yl-2,5-dihydro-1H-imidazole

2-butan-2-yl-2,5-dihydro-1H-imidazole (PubChem CID 20632606) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-butan-2-yl-2,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-butan-2-yl-2,5-dihydro-1H-imidazole
PubChem CID20632606
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-butan-2-yl-2,5-dihydro-1H-imidazole
SMILESCCC(C)C1N=CCN1
InChIInChI=1S/C7H14N2/c1-3-6(2)7-8-4-5-9-7/h4,6-7,9H,3,5H2,1-2H3
InChIKeyGVSZAGGPVWDYFB-UHFFFAOYSA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-di(butan-2-yl)-2,5-dihydropyrazine
CID 139215266
[(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite
CID 91169161
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
CID 90868308
CID 90868308
(2R)-2-butan-2-ylpiperidine
CID 145087457
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine
CID 82936355
4-butan-2-yltriazetidine
CID 130056510
4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane
CID 89076469
bicyclo[1.1.0]butane;ethane;2-methylbutane
CID 142057154
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,5-dihydro-1H-imidazole?
The IUPAC name of 2-butan-2-yl-2,5-dihydro-1H-imidazole (CID 20632606) is 2-butan-2-yl-2,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-butan-2-yl-2,5-dihydro-1H-imidazole?
The canonical SMILES for 2-butan-2-yl-2,5-dihydro-1H-imidazole is CCC(C)C1N=CCN1.
What is the InChIKey of 2-butan-2-yl-2,5-dihydro-1H-imidazole?
The InChIKey is GVSZAGGPVWDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-6(2)7-8-4-5-9-7/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 2-butan-2-yl-2,5-dihydro-1H-imidazole?
2-butan-2-yl-2,5-dihydro-1H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,5-dihydro-1H-imidazole is sourced from PubChem (CID 20632606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).