2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole

C9H11BrN2 — CID 156545016

IUPAC2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole
SMILESC=Cn1c(Br)nc(C)c1/C=C\C
InChIInChI=1S/C9H11BrN2/c1-4-6-8-7(3)11-9(10)12(8)5-2/h4-6H,2H2,1,3H3/b6-4-
InChIKeyBDMBOEWLHPZROL-XQRVVYSFSA-N
MW227.10 g/mol
LogP3.09
Rot. Bonds2

About 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole

2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole (PubChem CID 156545016) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole.

Molecular Properties

Compound Name2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole
PubChem CID156545016
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole
SMILESC=Cn1c(Br)nc(C)c1/C=C\C
InChIInChI=1S/C9H11BrN2/c1-4-6-8-7(3)11-9(10)12(8)5-2/h4-6H,2H2,1,3H3/b6-4-
InChIKeyBDMBOEWLHPZROL-XQRVVYSFSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole?
The IUPAC name of 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole (CID 156545016) is 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole.
What is the SMILES notation for 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole?
The canonical SMILES for 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole is C=Cn1c(Br)nc(C)c1/C=C\C.
What is the InChIKey of 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole?
The InChIKey is BDMBOEWLHPZROL-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-4-6-8-7(3)11-9(10)12(8)5-2/h4-6H,2H2,1,3H3/b6-4-.
What are the key properties of 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole?
2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole has a molecular weight of 227.10 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]imidazole is sourced from PubChem (CID 156545016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).