(2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine

C13H19N3 — CID 166540804

IUPAC(2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine
SMILESCCN1CN(/C=C2/C=CC=CN2)C(C)=C1C
InChIInChI=1S/C13H19N3/c1-4-15-10-16(12(3)11(15)2)9-13-7-5-6-8-14-13/h5-9,14H,4,10H2,1-3H3/b13-9-
InChIKeyABPCNKWDSRBXTK-LCYFTJDESA-N
MW217.32 g/mol
LogP2.35
Rot. Bonds2

About (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine

(2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine (PubChem CID 166540804) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine.

Molecular Properties

Compound Name(2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine
PubChem CID166540804
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine
SMILESCCN1CN(/C=C2/C=CC=CN2)C(C)=C1C
InChIInChI=1S/C13H19N3/c1-4-15-10-16(12(3)11(15)2)9-13-7-5-6-8-14-13/h5-9,14H,4,10H2,1-3H3/b13-9-
InChIKeyABPCNKWDSRBXTK-LCYFTJDESA-N
XLogP2.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
The IUPAC name of (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine (CID 166540804) is (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine.
What is the SMILES notation for (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
The canonical SMILES for (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine is CCN1CN(/C=C2/C=CC=CN2)C(C)=C1C.
What is the InChIKey of (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
The InChIKey is ABPCNKWDSRBXTK-LCYFTJDESA-N. The full InChI is InChI=1S/C13H19N3/c1-4-15-10-16(12(3)11(15)2)9-13-7-5-6-8-14-13/h5-9,14H,4,10H2,1-3H3/b13-9-.
What are the key properties of (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
(2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine has a molecular weight of 217.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-ethyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine is sourced from PubChem (CID 166540804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).