1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

C21H32N2 — CID 88949326

IUPAC1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C(C)/C=C(C)\C(=C\C)N1CCN(C2=C(C)C=C(C)CC2C)C1
InChIInChI=1S/C21H32N2/c1-8-20(17(5)11-15(2)3)22-9-10-23(14-22)21-18(6)12-16(4)13-19(21)7/h8,11-12,19H,2,9-10,13-14H2,1,3-7H3/b17-11-,20-8-
InChIKeyNXXJEHDHSBACGU-CMEHWVNASA-N
MW312.50 g/mol
LogP5.25
Rot. Bonds4

About 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine

1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 88949326) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID88949326
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine
SMILESC=C(C)/C=C(C)\C(=C\C)N1CCN(C2=C(C)C=C(C)CC2C)C1
InChIInChI=1S/C21H32N2/c1-8-20(17(5)11-15(2)3)22-9-10-23(14-22)21-18(6)12-16(4)13-19(21)7/h8,11-12,19H,2,9-10,13-14H2,1,3-7H3/b17-11-,20-8-
InChIKeyNXXJEHDHSBACGU-CMEHWVNASA-N
XLogP5.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine 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 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine (CID 88949326) is 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is C=C(C)/C=C(C)\C(=C\C)N1CCN(C2=C(C)C=C(C)CC2C)C1.
What is the InChIKey of 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is NXXJEHDHSBACGU-CMEHWVNASA-N. The full InChI is InChI=1S/C21H32N2/c1-8-20(17(5)11-15(2)3)22-9-10-23(14-22)21-18(6)12-16(4)13-19(21)7/h8,11-12,19H,2,9-10,13-14H2,1,3-7H3/b17-11-,20-8-.
What are the key properties of 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine?
1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 312.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 88949326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).