1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole

C33H40N4 — CID 91094436

IUPAC1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)c(N4C=CN(c5c(C)cc(C)cc5C)C4)c3C)C2)c(C)c1
InChIInChI=1S/C33H40N4/c1-21-14-23(3)30(24(4)15-21)34-10-12-36(19-34)32-27(7)18-28(8)33(29(32)9)37-13-11-35(20-37)31-25(5)16-22(2)17-26(31)6/h10-18H,19-20H2,1-9H3
InChIKeyOZNPQZZJBPDGQI-UHFFFAOYSA-N
MW492.71 g/mol
LogP7.97
Rot. Bonds4

About 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole

1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole (PubChem CID 91094436) has the molecular formula C33H40N4 and a molecular weight of 492.71 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole
PubChem CID91094436
Molecular FormulaC33H40N4
Molecular Weight492.71 g/mol
Exact Mass492.33
IUPAC Name1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)c(N4C=CN(c5c(C)cc(C)cc5C)C4)c3C)C2)c(C)c1
InChIInChI=1S/C33H40N4/c1-21-14-23(3)30(24(4)15-21)34-10-12-36(19-34)32-27(7)18-28(8)33(29(32)9)37-13-11-35(20-37)31-25(5)16-22(2)17-26(31)6/h10-18H,19-20H2,1-9H3
InChIKeyOZNPQZZJBPDGQI-UHFFFAOYSA-N
XLogP7.97
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole?
The IUPAC name of 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole (CID 91094436) is 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole is Cc1cc(C)c(N2C=CN(c3c(C)cc(C)c(N4C=CN(c5c(C)cc(C)cc5C)C4)c3C)C2)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole?
The InChIKey is OZNPQZZJBPDGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4/c1-21-14-23(3)30(24(4)15-21)34-10-12-36(19-34)32-27(7)18-28(8)33(29(32)9)37-13-11-35(20-37)31-25(5)16-22(2)17-26(31)6/h10-18H,19-20H2,1-9H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole?
1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole has a molecular weight of 492.71 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)-3-[2,4,6-trimethyl-3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]-2H-imidazole is sourced from PubChem (CID 91094436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).