3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline

C15H17N3 — CID 143408296

IUPAC3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline
SMILESC=c1/c(=C\C=C/C)nc(-c2cccc(N)c2)n1C
InChIInChI=1S/C15H17N3/c1-4-5-9-14-11(2)18(3)15(17-14)12-7-6-8-13(16)10-12/h4-10H,2,16H2,1,3H3/b5-4-,14-9+
InChIKeyHQYSGPGDFIMHNE-NAJRDQDTSA-N
MW239.32 g/mol
LogP1.44
Rot. Bonds2

About 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline

3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline (PubChem CID 143408296) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline
PubChem CID143408296
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline
SMILESC=c1/c(=C\C=C/C)nc(-c2cccc(N)c2)n1C
InChIInChI=1S/C15H17N3/c1-4-5-9-14-11(2)18(3)15(17-14)12-7-6-8-13(16)10-12/h4-10H,2,16H2,1,3H3/b5-4-,14-9+
InChIKeyHQYSGPGDFIMHNE-NAJRDQDTSA-N
XLogP1.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 115018388
3-(3-aminophenyl)-4-tert-butyl-1,2,4-oxadiazol-5-one
CID 115039447
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
3-(1,2-dimethylindol-5-yl)aniline
CID 116996409
5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine
CID 67199242
4-[2-(3-aminophenyl)-4-methylimidazol-1-yl]butan-2-one
CID 83971191
3-[1-(3,6-dimethylpyrazin-2-yl)imidazol-2-yl]aniline
CID 61176241
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)aniline
CID 61376254
3-(5-methylimidazo[1,2-a]pyridin-2-yl)aniline
CID 2771080

Frequently Asked Questions

What is the IUPAC name of 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline?
The IUPAC name of 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline (CID 143408296) is 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline.
What is the SMILES notation for 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline?
The canonical SMILES for 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline is C=c1/c(=C\C=C/C)nc(-c2cccc(N)c2)n1C.
What is the InChIKey of 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline?
The InChIKey is HQYSGPGDFIMHNE-NAJRDQDTSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-5-9-14-11(2)18(3)15(17-14)12-7-6-8-13(16)10-12/h4-10H,2,16H2,1,3H3/b5-4-,14-9+.
What are the key properties of 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline?
3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline has a molecular weight of 239.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4E)-4-[(Z)-but-2-enylidene]-1-methyl-5-methylideneimidazol-2-yl]aniline is sourced from PubChem (CID 143408296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).