1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole

C29H34N2 — CID 164783146

IUPAC1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
SMILESCc1cc(C)cc(-c2cc(C(C)C)c(N3C=CN(c4ccccc4)C3)c(C(C)C)c2)c1
InChIInChI=1S/C29H34N2/c1-20(2)27-17-25(24-15-22(5)14-23(6)16-24)18-28(21(3)4)29(27)31-13-12-30(19-31)26-10-8-7-9-11-26/h7-18,20-21H,19H2,1-6H3
InChIKeyRXUOYHXVKCXGAN-UHFFFAOYSA-N
MW410.61 g/mol
LogP7.97
Rot. Bonds5

About 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole

1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole (PubChem CID 164783146) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
PubChem CID164783146
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
SMILESCc1cc(C)cc(-c2cc(C(C)C)c(N3C=CN(c4ccccc4)C3)c(C(C)C)c2)c1
InChIInChI=1S/C29H34N2/c1-20(2)27-17-25(24-15-22(5)14-23(6)16-24)18-28(21(3)4)29(27)31-13-12-30(19-31)26-10-8-7-9-11-26/h7-18,20-21H,19H2,1-6H3
InChIKeyRXUOYHXVKCXGAN-UHFFFAOYSA-N
XLogP7.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491784
2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491859
1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
CID 158181373
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
1-(4-fluorophenyl)-3-phenyl-2H-imidazole
CID 59404000
1-(4-iodophenyl)-3-phenyl-2H-imidazole
CID 69494729
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1-iodopropane
CID 159145853
1-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3-phenyl-2H-imidazole
CID 162279073
1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole
CID 164783115

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole (CID 164783146) is 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole is Cc1cc(C)cc(-c2cc(C(C)C)c(N3C=CN(c4ccccc4)C3)c(C(C)C)c2)c1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole?
The InChIKey is RXUOYHXVKCXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2/c1-20(2)27-17-25(24-15-22(5)14-23(6)16-24)18-28(21(3)4)29(27)31-13-12-30(19-31)26-10-8-7-9-11-26/h7-18,20-21H,19H2,1-6H3.
What are the key properties of 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole?
1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole has a molecular weight of 410.61 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole is sourced from PubChem (CID 164783146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).