(4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole

C8H9BrN2 — CID 144986408

IUPAC(4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole
SMILESC=C(Br)/C=c1/nc(C)[nH]c1=C
InChIInChI=1S/C8H9BrN2/c1-5(9)4-8-6(2)10-7(3)11-8/h4H,1-2H2,3H3,(H,10,11)/b8-4+
InChIKeyGSPJTVQKUPSGJN-XBXARRHUSA-N
MW213.08 g/mol
LogP0.82
Rot. Bonds1

About (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole

(4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole (PubChem CID 144986408) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole
PubChem CID144986408
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name(4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole
SMILESC=C(Br)/C=c1/nc(C)[nH]c1=C
InChIInChI=1S/C8H9BrN2/c1-5(9)4-8-6(2)10-7(3)11-8/h4H,1-2H2,3H3,(H,10,11)/b8-4+
InChIKeyGSPJTVQKUPSGJN-XBXARRHUSA-N
XLogP0.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z)-5-(2-bromoprop-2-enylidene)-6-methylidene-3-nitropyridin-2-one
CID 155696788
2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal
CID 141018141
5-[(E)-2-bromoprop-1-enyl]-2-methyl-4-(methylideneamino)-1H-pyrimidin-6-one
CID 170399865
methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate
CID 138573207
ethane;(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1H-imidazole
CID 143453484
[1-cyano-4-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)penta-2,4-dienylidene]tungsten
CID 159351941
8-bromo-2,6-dimethyl-1H-quinazoline-4-thione
CID 106505564
(3Z,5E)-3-ethylidene-2-methylidene-5-(2-methylprop-2-enylidene)-4-propan-2-ylidenepyrrolidine
CID 155583234
(4E,5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-propylidene-1H-imidazole;ethane
CID 143526405
4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1H-imidazole;ethane
CID 143037368
5-(4-amino-2-methyl-1H-imidazol-5-yl)-2-methyl-1H-imidazol-4-amine
CID 166610683
[4-(hydroxymethyl)-2-methyl-1H-imidazol-5-yl]methanol
CID 10920614

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole?
The IUPAC name of (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole (CID 144986408) is (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole.
What is the SMILES notation for (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole?
The canonical SMILES for (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole is C=C(Br)/C=c1/nc(C)[nH]c1=C.
What is the InChIKey of (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole?
The InChIKey is GSPJTVQKUPSGJN-XBXARRHUSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-5(9)4-8-6(2)10-7(3)11-8/h4H,1-2H2,3H3,(H,10,11)/b8-4+.
What are the key properties of (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole?
(4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole has a molecular weight of 213.08 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole is sourced from PubChem (CID 144986408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).