1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole

C22H32N2 — CID 134315353

IUPAC1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)CC3(C)C)C2)[C@@H](C)C1
InChIInChI=1S/C22H32N2/c1-15-10-17(3)20(18(4)11-15)23-8-9-24(14-23)21-19(5)12-16(2)13-22(21,6)7/h8-10,12,18H,11,13-14H2,1-7H3/t18-/m0/s1
InChIKeyBCCAGRLEPYCTLG-SFHVURJKSA-N
MW324.51 g/mol
LogP5.94
Rot. Bonds2

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

1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole (PubChem CID 134315353) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole.

Molecular Properties

Compound Name1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
PubChem CID134315353
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
SMILESCC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)CC3(C)C)C2)[C@@H](C)C1
InChIInChI=1S/C22H32N2/c1-15-10-17(3)20(18(4)11-15)23-8-9-24(14-23)21-19(5)12-16(2)13-22(21,6)7/h8-10,12,18H,11,13-14H2,1-7H3/t18-/m0/s1
InChIKeyBCCAGRLEPYCTLG-SFHVURJKSA-N
XLogP5.94
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 ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
The IUPAC name of 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole (CID 134315353) is 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole.
What is the SMILES notation for 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
The canonical SMILES for 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole is CC1=CC(C)=C(N2C=CN(C3=C(C)C=C(C)CC3(C)C)C2)[C@@H](C)C1.
What is the InChIKey of 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
The InChIKey is BCCAGRLEPYCTLG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H32N2/c1-15-10-17(3)20(18(4)11-15)23-8-9-24(14-23)21-19(5)12-16(2)13-22(21,6)7/h8-10,12,18H,11,13-14H2,1-7H3/t18-/m0/s1.
What are the key properties of 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole has a molecular weight of 324.51 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole is sourced from PubChem (CID 134315353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).