4-bromo-1,5-dimethylimidazole

C5H7BrN2 — CID 15639182

IUPAC4-bromo-1,5-dimethylimidazole
SMILESCc1c(Br)ncn1C
InChIInChI=1S/C5H7BrN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3
InChIKeyQSAIPHWPPRDIEC-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.49
Rot. Bonds

About 4-bromo-1,5-dimethylimidazole

4-bromo-1,5-dimethylimidazole (PubChem CID 15639182) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 4-bromo-1,5-dimethylimidazole.

Molecular Properties

Compound Name4-bromo-1,5-dimethylimidazole
PubChem CID15639182
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name4-bromo-1,5-dimethylimidazole
SMILESCc1c(Br)ncn1C
InChIInChI=1S/C5H7BrN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3
InChIKeyQSAIPHWPPRDIEC-UHFFFAOYSA-N
XLogP1.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-methyl-1H-imidazole
CID 594881
5-bromo-1-methyl-1H-imidazole-4-carbonitrile
CID 84049009
2-Bromo-1,5-dimethyl-1H-imidazole
CID 7204876
2-Bromo-1,4-dimethyl-1H-imidazole
CID 7204877
4-bromo-1,2,5-trimethyl-1H-imidazole
CID 30032997
1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
5-bromo-1,4-dimethyl-1H-imidazole
CID 58641831
2-bromo-1,4,5-trimethyl-1H-imidazole
CID 74890576
1,4,5-Trimethyl-1H-imidazole
CID 573598
5-(bromomethyl)-1,4-dimethyl-1H-imidazole hydrobromide
CID 146082445
4-bromo-2-iodo-1,5-dimethyl-1H-imidazole
CID 165762174
1,3,4,5-Tetramethylimidazol-1-ium
CID 5252105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethylimidazole?
The IUPAC name of 4-bromo-1,5-dimethylimidazole (CID 15639182) is 4-bromo-1,5-dimethylimidazole.
What is the SMILES notation for 4-bromo-1,5-dimethylimidazole?
The canonical SMILES for 4-bromo-1,5-dimethylimidazole is Cc1c(Br)ncn1C.
What is the InChIKey of 4-bromo-1,5-dimethylimidazole?
The InChIKey is QSAIPHWPPRDIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3.
What are the key properties of 4-bromo-1,5-dimethylimidazole?
4-bromo-1,5-dimethylimidazole has a molecular weight of 175.03 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethylimidazole is sourced from PubChem (CID 15639182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).