5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole

C13H19ClN2 — CID 123173232

IUPAC5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
SMILESCC=c1ncn(CC)c1=CC(Cl)=C(C)CC
InChIInChI=1S/C13H19ClN2/c1-5-10(4)11(14)8-13-12(6-2)15-9-16(13)7-3/h6,8-9H,5,7H2,1-4H3
InChIKeyRHMZVXHYPJJNQH-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.41
Rot. Bonds3

About 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole

5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole (PubChem CID 123173232) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole.

Molecular Properties

Compound Name5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
PubChem CID123173232
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
SMILESCC=c1ncn(CC)c1=CC(Cl)=C(C)CC
InChIInChI=1S/C13H19ClN2/c1-5-10(4)11(14)8-13-12(6-2)15-9-16(13)7-3/h6,8-9H,5,7H2,1-4H3
InChIKeyRHMZVXHYPJJNQH-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
CID 123904557
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
CID 142991698
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene
CID 144669702
(4E,5E)-5-(2-chloroprop-2-enylidene)-1-ethyl-4-ethylideneimidazole;propane
CID 145620273
(5E)-5-but-3-en-2-ylidene-1-methyl-4-methylideneimidazole;ethane
CID 155711371
ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole
CID 178116814
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole
CID 144669703
(4E,5E)-5-(2-chloroprop-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 145620274
(4E,5E)-1-methyl-4,5-di(propylidene)imidazole
CID 178116815

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole?
The IUPAC name of 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole (CID 123173232) is 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole.
What is the SMILES notation for 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole?
The canonical SMILES for 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole is CC=c1ncn(CC)c1=CC(Cl)=C(C)CC.
What is the InChIKey of 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole?
The InChIKey is RHMZVXHYPJJNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-5-10(4)11(14)8-13-12(6-2)15-9-16(13)7-3/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole?
5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole has a molecular weight of 238.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole is sourced from PubChem (CID 123173232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).