(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene

C12H19ClN2 — CID 144669702

IUPAC(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene
SMILESC/C=c1/ncn(C)/c1=C/C(C)Cl.C=CC
InChIInChI=1S/C9H13ClN2.C3H6/c1-4-8-9(5-7(2)10)12(3)6-11-8;1-3-2/h4-7H,1-3H3;3H,1H2,2H3/b8-4+,9-5+;
InChIKeyGJBGTEWQIHHOFV-VYMJFYGFSA-N
MW226.75 g/mol
LogP1.82
Rot. Bonds1

About (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene

(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene (PubChem CID 144669702) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene.

Molecular Properties

Compound Name(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene
PubChem CID144669702
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene
SMILESC/C=c1/ncn(C)/c1=C/C(C)Cl.C=CC
InChIInChI=1S/C9H13ClN2.C3H6/c1-4-8-9(5-7(2)10)12(3)6-11-8;1-3-2/h4-7H,1-3H3;3H,1H2,2H3/b8-4+,9-5+;
InChIKeyGJBGTEWQIHHOFV-VYMJFYGFSA-N
XLogP1.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole
CID 144897785
ethane;3-methyl-7H-cyclohepta[d]imidazole
CID 145207331
(5E)-3,4-dimethyl-5-prop-2-enylidene-4H-imidazole
CID 163913102
ethane;(4E,5E)-1-methyl-4,5-di(propylidene)imidazole
CID 178116814
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1H-imidazole
CID 144356644
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole
CID 144669703
3-methyl-7H-cyclohepta[d]imidazole
CID 145207332
(4E,5E)-1-methyl-4,5-di(propylidene)imidazole
CID 178116815

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene?
The IUPAC name of (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene (CID 144669702) is (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene.
What is the SMILES notation for (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene?
The canonical SMILES for (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene is C/C=c1/ncn(C)/c1=C/C(C)Cl.C=CC.
What is the InChIKey of (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene?
The InChIKey is GJBGTEWQIHHOFV-VYMJFYGFSA-N. The full InChI is InChI=1S/C9H13ClN2.C3H6/c1-4-8-9(5-7(2)10)12(3)6-11-8;1-3-2/h4-7H,1-3H3;3H,1H2,2H3/b8-4+,9-5+;.
What are the key properties of (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene?
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene has a molecular weight of 226.75 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene is sourced from PubChem (CID 144669702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).