(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole

C9H10Cl2N2 — CID 126495002

IUPAC(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole
SMILESC=C(Cl)/C=c1\c(=C(/C)Cl)ncn1C
InChIInChI=1S/C9H10Cl2N2/c1-6(10)4-8-9(7(2)11)12-5-13(8)3/h4-5H,1H2,2-3H3/b8-4+,9-7-
InChIKeyHHSMDVLXWHHCCS-ZSITZFGTSA-N
MW217.10 g/mol
LogP1.32
Rot. Bonds1

About (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole

(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole (PubChem CID 126495002) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole.

Molecular Properties

Compound Name(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole
PubChem CID126495002
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole
SMILESC=C(Cl)/C=c1\c(=C(/C)Cl)ncn1C
InChIInChI=1S/C9H10Cl2N2/c1-6(10)4-8-9(7(2)11)12-5-13(8)3/h4-5H,1H2,2-3H3/b8-4+,9-7-
InChIKeyHHSMDVLXWHHCCS-ZSITZFGTSA-N
XLogP1.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole?
The IUPAC name of (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole (CID 126495002) is (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole.
What is the SMILES notation for (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole?
The canonical SMILES for (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole is C=C(Cl)/C=c1\c(=C(/C)Cl)ncn1C.
What is the InChIKey of (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole?
The InChIKey is HHSMDVLXWHHCCS-ZSITZFGTSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-6(10)4-8-9(7(2)11)12-5-13(8)3/h4-5H,1H2,2-3H3/b8-4+,9-7-.
What are the key properties of (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole?
(4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole has a molecular weight of 217.10 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-(1-chloroethylidene)-5-(2-chloroprop-2-enylidene)-1-methylimidazole is sourced from PubChem (CID 126495002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).