(4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole

C9H11ClN2 — CID 142996955

IUPAC(4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole
SMILESC=C/C=c1/nc(Cl)n(C)/c1=C/C
InChIInChI=1S/C9H11ClN2/c1-4-6-7-8(5-2)12(3)9(10)11-7/h4-6H,1H2,2-3H3/b7-6+,8-5+
InChIKeyYXXZQVBICHSASR-ZCOYIIAOSA-N
MW182.65 g/mol
LogP0.84
Rot. Bonds1

About (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole

(4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole (PubChem CID 142996955) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole.

Molecular Properties

Compound Name(4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole
PubChem CID142996955
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole
SMILESC=C/C=c1/nc(Cl)n(C)/c1=C/C
InChIInChI=1S/C9H11ClN2/c1-4-6-7-8(5-2)12(3)9(10)11-7/h4-6H,1H2,2-3H3/b7-6+,8-5+
InChIKeyYXXZQVBICHSASR-ZCOYIIAOSA-N
XLogP0.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
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CID 123218601
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole
CID 126495002
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
(4E)-4-[(E)-3-iodobut-2-enylidene]-1-methyl-5-methylideneimidazole
CID 138534952
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazole
CID 141977984
(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane
CID 142401350
(3aE,5Z,7Z,9E)-2,3-dimethylcycloocta[d]imidazole
CID 142616291

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole?
The IUPAC name of (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole (CID 142996955) is (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole.
What is the SMILES notation for (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole?
The canonical SMILES for (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole is C=C/C=c1/nc(Cl)n(C)/c1=C/C.
What is the InChIKey of (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole?
The InChIKey is YXXZQVBICHSASR-ZCOYIIAOSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-4-6-7-8(5-2)12(3)9(10)11-7/h4-6H,1H2,2-3H3/b7-6+,8-5+.
What are the key properties of (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole?
(4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole has a molecular weight of 182.65 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole is sourced from PubChem (CID 142996955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).