(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane

C11H15ClN2 — CID 142401350

IUPAC(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane
SMILESC=C/C=c1/nc(Cl)[nH]/c1=C/C=C.CC
InChIInChI=1S/C9H9ClN2.C2H6/c1-3-5-7-8(6-4-2)12-9(10)11-7;1-2/h3-6H,1-2H2,(H,11,12);1-2H3/b7-5+,8-6+;
InChIKeyNDWREXJEAMPKKR-PUFOULASSA-N
MW210.71 g/mol
LogP2.02
Rot. Bonds2

About (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane

(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane (PubChem CID 142401350) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane.

Molecular Properties

Compound Name(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane
PubChem CID142401350
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane
SMILESC=C/C=c1/nc(Cl)[nH]/c1=C/C=C.CC
InChIInChI=1S/C9H9ClN2.C2H6/c1-3-5-7-8(6-4-2)12-9(10)11-7;1-2/h3-6H,1-2H2,(H,11,12);1-2H3/b7-5+,8-6+;
InChIKeyNDWREXJEAMPKKR-PUFOULASSA-N
XLogP2.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1H-imidazole
CID 123195019
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396
(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole
CID 126759892
(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole
CID 135170936
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
CID 138600509
(4E)-2-methyl-5-methylidene-4-prop-2-enylidene-1H-imidazole
CID 142058909
(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1H-imidazole
CID 142489447
ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine
CID 142927503
(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine;ethane
CID 142927527
(4E,5E)-2-chloro-5-ethylidene-1-methyl-4-prop-2-enylideneimidazole
CID 142996955

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane?
The IUPAC name of (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane (CID 142401350) is (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane.
What is the SMILES notation for (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane?
The canonical SMILES for (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane is C=C/C=c1/nc(Cl)[nH]/c1=C/C=C.CC.
What is the InChIKey of (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane?
The InChIKey is NDWREXJEAMPKKR-PUFOULASSA-N. The full InChI is InChI=1S/C9H9ClN2.C2H6/c1-3-5-7-8(6-4-2)12-9(10)11-7;1-2/h3-6H,1-2H2,(H,11,12);1-2H3/b7-5+,8-6+;.
What are the key properties of (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane?
(4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane has a molecular weight of 210.71 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-chloro-4,5-bis(prop-2-enylidene)-1H-imidazole;ethane is sourced from PubChem (CID 142401350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).