1,2-diethyl-4,5-dihydroimidazole;hydrobromide

C7H15BrN2 — CID 174903363

IUPAC1,2-diethyl-4,5-dihydroimidazole;hydrobromide
SMILESBr.CCC1=NCCN1CC
InChIInChI=1S/C7H14N2.BrH/c1-3-7-8-5-6-9(7)4-2;/h3-6H2,1-2H3;1H
InChIKeyVHXYMHYXBLJZPW-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.71
Rot. Bonds2

About 1,2-diethyl-4,5-dihydroimidazole;hydrobromide

1,2-diethyl-4,5-dihydroimidazole;hydrobromide (PubChem CID 174903363) has the molecular formula C7H15BrN2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 1,2-diethyl-4,5-dihydroimidazole;hydrobromide.

Molecular Properties

Compound Name1,2-diethyl-4,5-dihydroimidazole;hydrobromide
PubChem CID174903363
Molecular FormulaC7H15BrN2
Molecular Weight207.11 g/mol
Exact Mass206.04
IUPAC Name1,2-diethyl-4,5-dihydroimidazole;hydrobromide
SMILESBr.CCC1=NCCN1CC
InChIInChI=1S/C7H14N2.BrH/c1-3-7-8-5-6-9(7)4-2;/h3-6H2,1-2H3;1H
InChIKeyVHXYMHYXBLJZPW-UHFFFAOYSA-N
XLogP1.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-2-methylimidazoline
CID 10996989
3-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)propanenitrile
CID 12328383
1,2-Dimethyl-4,5-dihydro-1H-imidazole
CID 12762328
2-Isopropyl-1-methyl-4,5-dihydro-1h-imidazole
CID 20484726
Tetramethylimid azoline
CID 20496079
1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium
CID 499186
1,2,3-Triethyl-4,5-dihydro-1H-imidazolium
CID 499188
InChI=1/C6H12N2/c1-3-6-7-4-5-8(6)2/h3-5H2,1-2H
CID 13928573
Ijxuzjpyxxemng-uhfffaoysa-
CID 13928574
1-Butyl-2-ethyl-4,5-dihydroimidazole
CID 86103198
1-Ethyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
CID 11030887
1-Butyl-2-methyl-4,5-dihydroimidazole
CID 11040787

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4,5-dihydroimidazole;hydrobromide?
The IUPAC name of 1,2-diethyl-4,5-dihydroimidazole;hydrobromide (CID 174903363) is 1,2-diethyl-4,5-dihydroimidazole;hydrobromide.
What is the SMILES notation for 1,2-diethyl-4,5-dihydroimidazole;hydrobromide?
The canonical SMILES for 1,2-diethyl-4,5-dihydroimidazole;hydrobromide is Br.CCC1=NCCN1CC.
What is the InChIKey of 1,2-diethyl-4,5-dihydroimidazole;hydrobromide?
The InChIKey is VHXYMHYXBLJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.BrH/c1-3-7-8-5-6-9(7)4-2;/h3-6H2,1-2H3;1H.
What are the key properties of 1,2-diethyl-4,5-dihydroimidazole;hydrobromide?
1,2-diethyl-4,5-dihydroimidazole;hydrobromide has a molecular weight of 207.11 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4,5-dihydroimidazole;hydrobromide is sourced from PubChem (CID 174903363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).