1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine

C22H26N2 — CID 90070979

IUPAC1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine
SMILESC=c1ccc(C)c(N2CCN(/C(C)=c3\cc(C)ccc3=C)C2)c1=C
InChIInChI=1S/C22H26N2/c1-15-7-8-17(3)21(13-15)20(6)23-11-12-24(14-23)22-18(4)10-9-16(2)19(22)5/h7-10,13H,2-3,5,11-12,14H2,1,4,6H3/b21-20+
InChIKeyDKTQXKMXQRHGQJ-QZQOTICOSA-N
MW318.46 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine

1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine (PubChem CID 90070979) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine.

Molecular Properties

Compound Name1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine
PubChem CID90070979
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine
SMILESC=c1ccc(C)c(N2CCN(/C(C)=c3\cc(C)ccc3=C)C2)c1=C
InChIInChI=1S/C22H26N2/c1-15-7-8-17(3)21(13-15)20(6)23-11-12-24(14-23)22-18(4)10-9-16(2)19(22)5/h7-10,13H,2-3,5,11-12,14H2,1,4,6H3/b21-20+
InChIKeyDKTQXKMXQRHGQJ-QZQOTICOSA-N
XLogP1.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine?
The IUPAC name of 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine (CID 90070979) is 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine.
What is the SMILES notation for 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine?
The canonical SMILES for 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine is C=c1ccc(C)c(N2CCN(/C(C)=c3\cc(C)ccc3=C)C2)c1=C.
What is the InChIKey of 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine?
The InChIKey is DKTQXKMXQRHGQJ-QZQOTICOSA-N. The full InChI is InChI=1S/C22H26N2/c1-15-7-8-17(3)21(13-15)20(6)23-11-12-24(14-23)22-18(4)10-9-16(2)19(22)5/h7-10,13H,2-3,5,11-12,14H2,1,4,6H3/b21-20+.
What are the key properties of 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine?
1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine has a molecular weight of 318.46 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-3-[(1E)-1-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]imidazolidine is sourced from PubChem (CID 90070979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).