(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine

C15H19N3 — CID 142874762

IUPAC(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
SMILESC=C/C=C(\C=C/C)C1=NC(=N\C=C/C)/C(=C\C)N1
InChIInChI=1S/C15H19N3/c1-5-9-12(10-6-2)14-17-13(8-4)15(18-14)16-11-7-3/h5-11H,1H2,2-4H3,(H,16,17,18)/b10-6-,11-7-,12-9+,13-8+
InChIKeyRIBFMEVUURXGPB-OSEHVFPPSA-N
MW241.34 g/mol
LogP3.51
Rot. Bonds4

About (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine

(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine (PubChem CID 142874762) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
PubChem CID142874762
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
SMILESC=C/C=C(\C=C/C)C1=NC(=N\C=C/C)/C(=C\C)N1
InChIInChI=1S/C15H19N3/c1-5-9-12(10-6-2)14-17-13(8-4)15(18-14)16-11-7-3/h5-11H,1H2,2-4H3,(H,16,17,18)/b10-6-,11-7-,12-9+,13-8+
InChIKeyRIBFMEVUURXGPB-OSEHVFPPSA-N
XLogP3.51
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4,5-bis[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-imidazole
CID 155245671
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
CID 130256315
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 174148997
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 143178055
(4E,5E)-4-ethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-5-prop-2-enylidene-1H-imidazole
CID 166995229
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]furo[3,2-d]pyrimidine
CID 155101991
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,2-oxazole-3-carboxylic acid
CID 145123854
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole
CID 144631854
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
3-amino-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyridin-2-one
CID 129100499
4-[3-(4-bromophenyl)phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylbenzene
CID 144640238

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
The IUPAC name of (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine (CID 142874762) is (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
The canonical SMILES for (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine is C=C/C=C(\C=C/C)C1=NC(=N\C=C/C)/C(=C\C)N1.
What is the InChIKey of (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
The InChIKey is RIBFMEVUURXGPB-OSEHVFPPSA-N. The full InChI is InChI=1S/C15H19N3/c1-5-9-12(10-6-2)14-17-13(8-4)15(18-14)16-11-7-3/h5-11H,1H2,2-4H3,(H,16,17,18)/b10-6-,11-7-,12-9+,13-8+.
What are the key properties of (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine?
(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine has a molecular weight of 241.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine is sourced from PubChem (CID 142874762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).