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

C15H23N3 — CID 167266674

IUPAC(2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine
SMILESCCCCN1CN(/C=C2/C=CC=CN2)C(C)=C1C
InChIInChI=1S/C15H23N3/c1-4-5-10-17-12-18(14(3)13(17)2)11-15-8-6-7-9-16-15/h6-9,11,16H,4-5,10,12H2,1-3H3/b15-11-
InChIKeyQKDAJJYQVIGQLC-PTNGSMBKSA-N
MW245.37 g/mol
LogP3.13
Rot. Bonds4

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

(2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine (PubChem CID 167266674) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine.

Molecular Properties

Compound Name(2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine
PubChem CID167266674
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine
SMILESCCCCN1CN(/C=C2/C=CC=CN2)C(C)=C1C
InChIInChI=1S/C15H23N3/c1-4-5-10-17-12-18(14(3)13(17)2)11-15-8-6-7-9-16-15/h6-9,11,16H,4-5,10,12H2,1-3H3/b15-11-
InChIKeyQKDAJJYQVIGQLC-PTNGSMBKSA-N
XLogP3.13
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
The IUPAC name of (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine (CID 167266674) is (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine.
What is the SMILES notation for (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
The canonical SMILES for (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine is CCCCN1CN(/C=C2/C=CC=CN2)C(C)=C1C.
What is the InChIKey of (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
The InChIKey is QKDAJJYQVIGQLC-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-5-10-17-12-18(14(3)13(17)2)11-15-8-6-7-9-16-15/h6-9,11,16H,4-5,10,12H2,1-3H3/b15-11-.
What are the key properties of (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine?
(2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine has a molecular weight of 245.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-butyl-4,5-dimethyl-2H-imidazol-1-yl)methylidene]-1H-pyridine is sourced from PubChem (CID 167266674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).