4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole

C18H24N2 — CID 134484500

IUPAC4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole
SMILESC/C=C\C=C(C)\C=C\C1NC=C(C2=CC=CCC2)N1C
InChIInChI=1S/C18H24N2/c1-4-5-9-15(2)12-13-18-19-14-17(20(18)3)16-10-7-6-8-11-16/h4-7,9-10,12-14,18-19H,8,11H2,1-3H3/b5-4-,13-12+,15-9+
InChIKeyDUXJJWHBAAJEDJ-HYSOASIUSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds4

About 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole

4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole (PubChem CID 134484500) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole
PubChem CID134484500
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole
SMILESC/C=C\C=C(C)\C=C\C1NC=C(C2=CC=CCC2)N1C
InChIInChI=1S/C18H24N2/c1-4-5-9-15(2)12-13-18-19-14-17(20(18)3)16-10-7-6-8-11-16/h4-7,9-10,12-14,18-19H,8,11H2,1-3H3/b5-4-,13-12+,15-9+
InChIKeyDUXJJWHBAAJEDJ-HYSOASIUSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole 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 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole (CID 134484500) is 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole is C/C=C\C=C(C)\C=C\C1NC=C(C2=CC=CCC2)N1C.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole?
The InChIKey is DUXJJWHBAAJEDJ-HYSOASIUSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-5-9-15(2)12-13-18-19-14-17(20(18)3)16-10-7-6-8-11-16/h4-7,9-10,12-14,18-19H,8,11H2,1-3H3/b5-4-,13-12+,15-9+.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole?
4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole has a molecular weight of 268.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-1,2-dihydroimidazole is sourced from PubChem (CID 134484500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).