1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole

C44H54N4 — CID 123295135

IUPAC1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(C)N(c2c(C)cc(CCc3cc(C)c(N4C=CN(c5c(C)cc(C)cc5C)C4)c(C)c3)cc2C)CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C44H54N4/c1-27-17-29(3)41(30(4)18-27)45-15-16-46(25-45)42-33(7)21-39(22-34(42)8)13-14-40-23-35(9)44(36(10)24-40)48-26-47(37(11)38(48)12)43-31(5)19-28(2)20-32(43)6/h15-24H,13-14,25-26H2,1-12H3
InChIKeyQKGKXAUWEJWANV-UHFFFAOYSA-N
MW638.94 g/mol
LogP10.85
Rot. Bonds7

About 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole

1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole (PubChem CID 123295135) has the molecular formula C44H54N4 and a molecular weight of 638.94 g/mol. Its IUPAC name is 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole
PubChem CID123295135
Molecular FormulaC44H54N4
Molecular Weight638.94 g/mol
Exact Mass638.43
IUPAC Name1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(C)N(c2c(C)cc(CCc3cc(C)c(N4C=CN(c5c(C)cc(C)cc5C)C4)c(C)c3)cc2C)CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C44H54N4/c1-27-17-29(3)41(30(4)18-27)45-15-16-46(25-45)42-33(7)21-39(22-34(42)8)13-14-40-23-35(9)44(36(10)24-40)48-26-47(37(11)38(48)12)43-31(5)19-28(2)20-32(43)6/h15-24H,13-14,25-26H2,1-12H3
InChIKeyQKGKXAUWEJWANV-UHFFFAOYSA-N
XLogP10.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.94
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The IUPAC name of 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole (CID 123295135) is 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole.
What is the SMILES notation for 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The canonical SMILES for 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole is CC1=C(C)N(c2c(C)cc(CCc3cc(C)c(N4C=CN(c5c(C)cc(C)cc5C)C4)c(C)c3)cc2C)CN1c1c(C)cc(C)cc1C.
What is the InChIKey of 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole?
The InChIKey is QKGKXAUWEJWANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N4/c1-27-17-29(3)41(30(4)18-27)45-15-16-46(25-45)42-33(7)21-39(22-34(42)8)13-14-40-23-35(9)44(36(10)24-40)48-26-47(37(11)38(48)12)43-31(5)19-28(2)20-32(43)6/h15-24H,13-14,25-26H2,1-12H3.
What are the key properties of 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole?
1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole has a molecular weight of 638.94 g/mol, XLogP of 10.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3,5-dimethyl-4-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]phenyl]ethyl]-2,6-dimethylphenyl]-4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole is sourced from PubChem (CID 123295135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).