N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine

C24H31N3 — CID 146359424

IUPACN-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C=C1C=CC=CC1)C(C)C1N(C)C(C)=C(/C=C\C=C/C)N1C
InChIInChI=1S/C24H31N3/c1-7-8-10-18-23-20(3)26(5)24(27(23)6)19(2)22(25-4)17-13-16-21-14-11-9-12-15-21/h7-14,17-19,24H,4,15H2,1-3,5-6H3/b8-7-,18-10-,22-17-
InChIKeyGHHMULMGCMTWFX-QYQLBVICSA-N
MW361.53 g/mol
LogP5.37
Rot. Bonds6

About N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine

N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine (PubChem CID 146359424) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine
PubChem CID146359424
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC NameN-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C=C1C=CC=CC1)C(C)C1N(C)C(C)=C(/C=C\C=C/C)N1C
InChIInChI=1S/C24H31N3/c1-7-8-10-18-23-20(3)26(5)24(27(23)6)19(2)22(25-4)17-13-16-21-14-11-9-12-15-21/h7-14,17-19,24H,4,15H2,1-3,5-6H3/b8-7-,18-10-,22-17-
InChIKeyGHHMULMGCMTWFX-QYQLBVICSA-N
XLogP5.37
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine 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 N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine (CID 146359424) is N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C=C1C=CC=CC1)C(C)C1N(C)C(C)=C(/C=C\C=C/C)N1C.
What is the InChIKey of N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine?
The InChIKey is GHHMULMGCMTWFX-QYQLBVICSA-N. The full InChI is InChI=1S/C24H31N3/c1-7-8-10-18-23-20(3)26(5)24(27(23)6)19(2)22(25-4)17-13-16-21-14-11-9-12-15-21/h7-14,17-19,24H,4,15H2,1-3,5-6H3/b8-7-,18-10-,22-17-.
What are the key properties of N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine?
N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine has a molecular weight of 361.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-6-cyclohexa-2,4-dien-1-ylidene-2-[1,3,4-trimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-2H-imidazol-2-yl]hexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 146359424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).