1-butyl-3-methyl-2H-imidazole;hydrobromide

C8H17BrN2 — CID 25153273

IUPAC1-butyl-3-methyl-2H-imidazole;hydrobromide
SMILESBr.CCCCN1C=CN(C)C1
InChIInChI=1S/C8H16N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-7H,3-5,8H2,1-2H3;1H
InChIKeyOIWSIWZBQPTDKI-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.04
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole;hydrobromide

1-butyl-3-methyl-2H-imidazole;hydrobromide (PubChem CID 25153273) has the molecular formula C8H17BrN2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;hydrobromide
PubChem CID25153273
Molecular FormulaC8H17BrN2
Molecular Weight221.14 g/mol
Exact Mass220.06
IUPAC Name1-butyl-3-methyl-2H-imidazole;hydrobromide
SMILESBr.CCCCN1C=CN(C)C1
InChIInChI=1S/C8H16N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-7H,3-5,8H2,1-2H3;1H
InChIKeyOIWSIWZBQPTDKI-UHFFFAOYSA-N
XLogP2.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-propylimidazolium Bromide
CID 60196377
1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Methyl-3-propylimidazolium chloride
CID 60196378
1-Hexyl-3-methylimidazole
CID 18513318
1-Methyl-3-[4-(3-methyl-2-methylideneimidazol-1-yl)butyl]imidazole-2-selone
CID 177652334
1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1-Pentyl-3-methylimidazole
CID 19604648
1-Propyl-3-methylimidazole
CID 21917382
1H-Imidazolium, 1-butyl-3-methyl-, bromide
CID 53249772
2,3-Dimethyl-1-butylimidazole
CID 2782664
1,3-Diisopropyl-2,3-dihydro-1H-imidazole
CID 4961718
1-heptyl-3-methyl-2H-imidazole
CID 17865360

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;hydrobromide?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;hydrobromide (CID 25153273) is 1-butyl-3-methyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;hydrobromide is Br.CCCCN1C=CN(C)C1.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;hydrobromide?
The InChIKey is OIWSIWZBQPTDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-7H,3-5,8H2,1-2H3;1H.
What are the key properties of 1-butyl-3-methyl-2H-imidazole;hydrobromide?
1-butyl-3-methyl-2H-imidazole;hydrobromide has a molecular weight of 221.14 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 25153273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).