5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole

C12H17ClN2 — CID 123991948

IUPAC5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
SMILESCC=c1ncn(C)c1=CC(Cl)=C(C)CC
InChIInChI=1S/C12H17ClN2/c1-5-9(3)10(13)7-12-11(6-2)14-8-15(12)4/h6-8H,5H2,1-4H3
InChIKeyUBBPGFRMSVTKKB-UHFFFAOYSA-N
MW224.73 g/mol
LogP1.92
Rot. Bonds2

About 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole

5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole (PubChem CID 123991948) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole.

Molecular Properties

Compound Name5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
PubChem CID123991948
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
SMILESCC=c1ncn(C)c1=CC(Cl)=C(C)CC
InChIInChI=1S/C12H17ClN2/c1-5-9(3)10(13)7-12-11(6-2)14-8-15(12)4/h6-8H,5H2,1-4H3
InChIKeyUBBPGFRMSVTKKB-UHFFFAOYSA-N
XLogP1.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
CID 123904557
Ethane;1-methyl-5,6-dihydrobenzimidazole
CID 142804358
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
CID 142991698
1,4-Dimethyl-5,6-dihydrobenzimidazole;ethane
CID 144237869
1,4-Dimethyl-5,6-dihydrobenzimidazole
CID 144237870
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene
CID 144669702
1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
CID 144897685
(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine
CID 155054265

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole?
The IUPAC name of 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole (CID 123991948) is 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole.
What is the SMILES notation for 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole?
The canonical SMILES for 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole is CC=c1ncn(C)c1=CC(Cl)=C(C)CC.
What is the InChIKey of 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole?
The InChIKey is UBBPGFRMSVTKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-5-9(3)10(13)7-12-11(6-2)14-8-15(12)4/h6-8H,5H2,1-4H3.
What are the key properties of 5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole?
5-(2-chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole has a molecular weight of 224.73 g/mol, XLogP of 1.92, 2 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)-4-ethylidene-1-methylimidazole is sourced from PubChem (CID 123991948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).