(2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole

C31H36N4 — CID 118119669

IUPAC(2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole
SMILESCc1cccc(C)c1N1C=CN(c2cccc(N3C=CN(c4c(C)cccc4C)[C@H]3C)c2C)[C@H]1C
InChIInChI=1S/C31H36N4/c1-21-11-8-12-22(2)30(21)34-19-17-32(26(34)6)28-15-10-16-29(25(28)5)33-18-20-35(27(33)7)31-23(3)13-9-14-24(31)4/h8-20,26-27H,1-7H3/t26-,27+
InChIKeyKOFUPQBQONLEMY-MKPDMIMOSA-N
MW464.66 g/mol
LogP7.52
Rot. Bonds4

About (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole

(2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole (PubChem CID 118119669) has the molecular formula C31H36N4 and a molecular weight of 464.66 g/mol. Its IUPAC name is (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole.

Molecular Properties

Compound Name(2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole
PubChem CID118119669
Molecular FormulaC31H36N4
Molecular Weight464.66 g/mol
Exact Mass464.29
IUPAC Name(2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole
SMILESCc1cccc(C)c1N1C=CN(c2cccc(N3C=CN(c4c(C)cccc4C)[C@H]3C)c2C)[C@H]1C
InChIInChI=1S/C31H36N4/c1-21-11-8-12-22(2)30(21)34-19-17-32(26(34)6)28-15-10-16-29(25(28)5)33-18-20-35(27(33)7)31-23(3)13-9-14-24(31)4/h8-20,26-27H,1-7H3/t26-,27+
InChIKeyKOFUPQBQONLEMY-MKPDMIMOSA-N
XLogP7.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole?
The IUPAC name of (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole (CID 118119669) is (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole.
What is the SMILES notation for (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole?
The canonical SMILES for (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole is Cc1cccc(C)c1N1C=CN(c2cccc(N3C=CN(c4c(C)cccc4C)[C@H]3C)c2C)[C@H]1C.
What is the InChIKey of (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole?
The InChIKey is KOFUPQBQONLEMY-MKPDMIMOSA-N. The full InChI is InChI=1S/C31H36N4/c1-21-11-8-12-22(2)30(21)34-19-17-32(26(34)6)28-15-10-16-29(25(28)5)33-18-20-35(27(33)7)31-23(3)13-9-14-24(31)4/h8-20,26-27H,1-7H3/t26-,27+.
What are the key properties of (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole?
(2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole has a molecular weight of 464.66 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-dimethylphenyl)-3-[3-[(2S)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole is sourced from PubChem (CID 118119669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).