4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole

C9H12Br2N2 — CID 122164509

IUPAC4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole
SMILESCCc1nc(Br)c(Br)n1CC1CC1
InChIInChI=1S/C9H12Br2N2/c1-2-7-12-8(10)9(11)13(7)5-6-3-4-6/h6H,2-5H2,1H3
InChIKeyTZIZOSOZPPDLHC-UHFFFAOYSA-N
MW308.02 g/mol
LogP3.38
Rot. Bonds3

About 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole

4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole (PubChem CID 122164509) has the molecular formula C9H12Br2N2 and a molecular weight of 308.02 g/mol. Its IUPAC name is 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole.

Molecular Properties

Compound Name4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole
PubChem CID122164509
Molecular FormulaC9H12Br2N2
Molecular Weight308.02 g/mol
Exact Mass305.94
IUPAC Name4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole
SMILESCCc1nc(Br)c(Br)n1CC1CC1
InChIInChI=1S/C9H12Br2N2/c1-2-7-12-8(10)9(11)13(7)5-6-3-4-6/h6H,2-5H2,1H3
InChIKeyTZIZOSOZPPDLHC-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dibromo-1,2-dimethyl-1H-imidazole
CID 303178
4,5-Dibromo-2-(3,3-difluorocyclobutyl)-1-methylimidazole
CID 177241353
1-Butyl-4,5-dibromo-3-methylimidazolium bromide
CID 129822864
4,5-Dibromo-1-methyl-2-octylimidazole
CID 134824051
1-Butyl-4,5-dibromo-3-methylimidazolium iodide
CID 163408571
2,4,5-Tribromo-1-propyl-1H-imidazole
CID 35763
2,4,5-Tribromo-1-(3-fluorobutyl)imidazole
CID 130611462
2,4,5-Tribromo-1-(2-fluorobutyl)imidazole
CID 130621972
4,5-Dibromo-2-ethyl-1-pentan-2-ylimidazole
CID 11221015
4,5-Dibromo-2-ethyl-1-pentan-3-ylimidazole
CID 12064774
4,5-Dibromo-2-ethyl-1-pentylimidazole
CID 18669047
4,5-Dibromo-2-ethyl-1-(methoxymethyl)imidazole
CID 22058662

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole?
The IUPAC name of 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole (CID 122164509) is 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole.
What is the SMILES notation for 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole?
The canonical SMILES for 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole is CCc1nc(Br)c(Br)n1CC1CC1.
What is the InChIKey of 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole?
The InChIKey is TZIZOSOZPPDLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2/c1-2-7-12-8(10)9(11)13(7)5-6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole?
4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole has a molecular weight of 308.02 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-(cyclopropylmethyl)-2-ethylimidazole is sourced from PubChem (CID 122164509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).