(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine

C15H17N3 — CID 126552115

IUPAC(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
SMILESC=C/C=C\C(=C/C=C)Nc1n/c(=C/C=C)c(=C)[nH]1
InChIInChI=1S/C15H17N3/c1-5-8-11-13(9-6-2)17-15-16-12(4)14(18-15)10-7-3/h5-11H,1-4H2,(H2,16,17,18)/b11-8-,13-9+,14-10+
InChIKeyLGOSCAJBDKGYCW-KCVMYXKASA-N
MW239.32 g/mol
LogP2.01
Rot. Bonds6

About (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine

(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine (PubChem CID 126552115) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
PubChem CID126552115
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
SMILESC=C/C=C\C(=C/C=C)Nc1n/c(=C/C=C)c(=C)[nH]1
InChIInChI=1S/C15H17N3/c1-5-8-11-13(9-6-2)17-15-16-12(4)14(18-15)10-7-3/h5-11H,1-4H2,(H2,16,17,18)/b11-8-,13-9+,14-10+
InChIKeyLGOSCAJBDKGYCW-KCVMYXKASA-N
XLogP2.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine?
The IUPAC name of (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine (CID 126552115) is (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine.
What is the SMILES notation for (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine?
The canonical SMILES for (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine is C=C/C=C\C(=C/C=C)Nc1n/c(=C/C=C)c(=C)[nH]1.
What is the InChIKey of (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine?
The InChIKey is LGOSCAJBDKGYCW-KCVMYXKASA-N. The full InChI is InChI=1S/C15H17N3/c1-5-8-11-13(9-6-2)17-15-16-12(4)14(18-15)10-7-3/h5-11H,1-4H2,(H2,16,17,18)/b11-8-,13-9+,14-10+.
What are the key properties of (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine?
(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine is sourced from PubChem (CID 126552115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).