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1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole

C22H32N2 — CID 123899937

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)C(C)C3C)C2)C(C)C1
InChIInChI=1S/C22H32N2/c1-14-10-16(3)21(17(4)11-14)23-8-9-24(13-23)22-18(5)12-15(2)19(6)20(22)7/h8-10,12,17,19-20H,11,13H2,1-7H3
InChIKeyRUUBLNUCPCPXQV-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.80
Rot. Bonds2

About 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole

1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole (PubChem CID 123899937) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole.

Molecular Properties

Compound Name1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
PubChem CID123899937
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)C(C)C3C)C2)C(C)C1
InChIInChI=1S/C22H32N2/c1-14-10-16(3)21(17(4)11-14)23-8-9-24(13-23)22-18(5)12-15(2)19(6)20(22)7/h8-10,12,17,19-20H,11,13H2,1-7H3
InChIKeyRUUBLNUCPCPXQV-UHFFFAOYSA-N
XLogP5.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The IUPAC name of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole (CID 123899937) is 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole.
What is the SMILES notation for 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The canonical SMILES for 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole is CC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)C(C)C3C)C2)C(C)C1.
What is the InChIKey of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
The InChIKey is RUUBLNUCPCPXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-14-10-16(3)21(17(4)11-14)23-8-9-24(13-23)22-18(5)12-15(2)19(6)20(22)7/h8-10,12,17,19-20H,11,13H2,1-7H3.
What are the key properties of 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole?
1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole has a molecular weight of 324.51 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole is sourced from PubChem (CID 123899937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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