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

C9H13ClN2 — CID 144669703

IUPAC(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole
SMILESC/C=c1/ncn(C)/c1=C/C(C)Cl
InChIInChI=1S/C9H13ClN2/c1-4-8-9(5-7(2)10)12(3)6-11-8/h4-7H,1-3H3/b8-4+,9-5+
InChIKeyNSRDIZGNMFUXBY-KBXRYBNXSA-N
MW184.67 g/mol
LogP0.63
Rot. Bonds1

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

(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole (PubChem CID 144669703) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole.

Molecular Properties

Compound Name(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole
PubChem CID144669703
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole
SMILESC/C=c1/ncn(C)/c1=C/C(C)Cl
InChIInChI=1S/C9H13ClN2/c1-4-8-9(5-7(2)10)12(3)6-11-8/h4-7H,1-3H3/b8-4+,9-5+
InChIKeyNSRDIZGNMFUXBY-KBXRYBNXSA-N
XLogP0.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dichloro-1-methyl-5,6-dihydrobenzimidazole
CID 89347396
5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
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
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole;prop-1-ene
CID 144669702
(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole
CID 144897785
(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole
CID 170191491
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)-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?
The IUPAC name of (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole (CID 144669703) is (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole.
What is the SMILES notation for (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole?
The canonical SMILES for (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole is C/C=c1/ncn(C)/c1=C/C(C)Cl.
What is the InChIKey of (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole?
The InChIKey is NSRDIZGNMFUXBY-KBXRYBNXSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-4-8-9(5-7(2)10)12(3)6-11-8/h4-7H,1-3H3/b8-4+,9-5+.
What are the key properties of (4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole?
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole has a molecular weight of 184.67 g/mol, XLogP of 0.63, 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 is sourced from PubChem (CID 144669703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).