1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide

C7H15BrN2 — CID 67523553

IUPAC1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide
SMILESCCCN1C=C[NH+](C)C1.[Br-]
InChIInChI=1S/C7H14N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyLXKJXSIVSWFKQA-UHFFFAOYSA-N
MW207.11 g/mol
LogP-3.34
Rot. Bonds2

About 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide

1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide (PubChem CID 67523553) has the molecular formula C7H15BrN2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide.

Molecular Properties

Compound Name1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide
PubChem CID67523553
Molecular FormulaC7H15BrN2
Molecular Weight207.11 g/mol
Exact Mass206.04
IUPAC Name1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide
SMILESCCCN1C=C[NH+](C)C1.[Br-]
InChIInChI=1S/C7H14N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyLXKJXSIVSWFKQA-UHFFFAOYSA-N
XLogP-3.34
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-3-propylimidazolium Bromide
CID 60196377
3-Methyl-1 h-imidazole
CID 5254862
3-Methyl-1,2-dihydroimidazol-2-amine
CID 44330796
2-ethyl-2,3-dihydro-1H-imidazole
CID 44330841
1-propyl-1H-imidazole-2-thiol
CID 4961587
1H-Imidazolium, 1-methyl-3-propyl-, chloride
CID 67523443
1-Propyl-3-methylimidazole
CID 21917382
1H-Imidazolium, 1-butyl-3-methyl-, bromide
CID 53249772
1,3-Dimethyl-1H-imidazolium iodide
CID 23618276
Propyldihydroimidazole
CID 66765033
1H-Imidazolium, 1-ethyl-3-methyl-, chloride
CID 66822491
1H-Imidazolium, 1-butyl-3-methyl-, chloride
CID 66823030

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide?
The IUPAC name of 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide (CID 67523553) is 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide.
What is the SMILES notation for 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide?
The canonical SMILES for 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide is CCCN1C=C[NH+](C)C1.[Br-].
What is the InChIKey of 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide?
The InChIKey is LXKJXSIVSWFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide?
1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide has a molecular weight of 207.11 g/mol, XLogP of -3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium bromide is sourced from PubChem (CID 67523553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).