1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole

C49H46N4 — CID 158064559

IUPAC1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole
SMILESCC(C)c1cccc(-c2ccccc2)c1N1CCN=C1c1cccc(Cc2cccc(-c3nccn3-c3c(-c4ccccc4)cccc3C(C)C)c2)c1
InChIInChI=1S/C49H46N4/c1-34(2)42-23-13-25-44(38-17-7-5-8-18-38)46(42)52-29-27-50-48(52)40-21-11-15-36(32-40)31-37-16-12-22-41(33-37)49-51-28-30-53(49)47-43(35(3)4)24-14-26-45(47)39-19-9-6-10-20-39/h5-27,29,32-35H,28,30-31H2,1-4H3
InChIKeyVYIJXDNZOUNTIM-UHFFFAOYSA-N
MW690.94 g/mol
LogP11.98
Rot. Bonds10

About 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole

1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole (PubChem CID 158064559) has the molecular formula C49H46N4 and a molecular weight of 690.94 g/mol. Its IUPAC name is 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole.

Molecular Properties

Compound Name1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole
PubChem CID158064559
Molecular FormulaC49H46N4
Molecular Weight690.94 g/mol
Exact Mass690.37
IUPAC Name1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole
SMILESCC(C)c1cccc(-c2ccccc2)c1N1CCN=C1c1cccc(Cc2cccc(-c3nccn3-c3c(-c4ccccc4)cccc3C(C)C)c2)c1
InChIInChI=1S/C49H46N4/c1-34(2)42-23-13-25-44(38-17-7-5-8-18-38)46(42)52-29-27-50-48(52)40-21-11-15-36(32-40)31-37-16-12-22-41(33-37)49-51-28-30-53(49)47-43(35(3)4)24-14-26-45(47)39-19-9-6-10-20-39/h5-27,29,32-35H,28,30-31H2,1-4H3
InChIKeyVYIJXDNZOUNTIM-UHFFFAOYSA-N
XLogP11.98
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.94
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
CID 158295187
1-(2,6-diphenylphenyl)-2-(8-propan-2-yl-9H-fluoren-3-yl)imidazole
CID 157071035
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
CID 118944080
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
CID 140723590
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
CID 162072603
CID 162072603
1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-(4-methylphenyl)-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
CID 159030794
N-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-3-isoquinolin-1-yl-N-phenylaniline
CID 70654675
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenoxy]pyridine
CID 140803188

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole?
The IUPAC name of 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole (CID 158064559) is 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole.
What is the SMILES notation for 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole?
The canonical SMILES for 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole is CC(C)c1cccc(-c2ccccc2)c1N1CCN=C1c1cccc(Cc2cccc(-c3nccn3-c3c(-c4ccccc4)cccc3C(C)C)c2)c1.
What is the InChIKey of 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole?
The InChIKey is VYIJXDNZOUNTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H46N4/c1-34(2)42-23-13-25-44(38-17-7-5-8-18-38)46(42)52-29-27-50-48(52)40-21-11-15-36(32-40)31-37-16-12-22-41(33-37)49-51-28-30-53(49)47-43(35(3)4)24-14-26-45(47)39-19-9-6-10-20-39/h5-27,29,32-35H,28,30-31H2,1-4H3.
What are the key properties of 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole?
1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole has a molecular weight of 690.94 g/mol, XLogP of 11.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-6-propan-2-ylphenyl)-2-[3-[[3-[1-(2-phenyl-6-propan-2-ylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]phenyl]imidazole is sourced from PubChem (CID 158064559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).