2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole

C49H40N6 — CID 91067167

IUPAC2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole
SMILESCn1c(C(c2nc(-c3ccccc3)c(-c3ccccc3)n2C)c2nc(-c3ccccc3)c(-c3ccccc3)n2C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C49H40N6/c1-53-44(37-28-16-7-17-29-37)41(34-22-10-4-11-23-34)50-47(53)40(48-51-42(35-24-12-5-13-25-35)45(54(48)2)38-30-18-8-19-31-38)49-52-43(36-26-14-6-15-27-36)46(55(49)3)39-32-20-9-21-33-39/h4-33,40H,1-3H3
InChIKeyBNXIOQQGEQBYRH-UHFFFAOYSA-N
MW712.90 g/mol
LogP11.07
Rot. Bonds9

About 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole

2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole (PubChem CID 91067167) has the molecular formula C49H40N6 and a molecular weight of 712.90 g/mol. Its IUPAC name is 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole
PubChem CID91067167
Molecular FormulaC49H40N6
Molecular Weight712.90 g/mol
Exact Mass712.33
IUPAC Name2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole
SMILESCn1c(C(c2nc(-c3ccccc3)c(-c3ccccc3)n2C)c2nc(-c3ccccc3)c(-c3ccccc3)n2C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C49H40N6/c1-53-44(37-28-16-7-17-29-37)41(34-22-10-4-11-23-34)50-47(53)40(48-51-42(35-24-12-5-13-25-35)45(54(48)2)38-30-18-8-19-31-38)49-52-43(36-26-14-6-15-27-36)46(55(49)3)39-32-20-9-21-33-39/h4-33,40H,1-3H3
InChIKeyBNXIOQQGEQBYRH-UHFFFAOYSA-N
XLogP11.07
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 4547410
Paenidigyamycin A
CID 146682879
Benzimidazolium, tris(1-dodecyl-3-methyl-2-phenyl-, ferricyanide
CID 81692
2,4,5-Triphenyl-1-[8-(2,4,5-triphenylimidazol-1-yl)octyl]imidazole
CID 71654401
N-methyl-N-[(1-methyl-4,5-diphenylimidazol-2-yl)methyl]aniline
CID 72164281
1-Benzyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644543
1,3,5-Tris(phenyl-2-benzimidazolyl)-benzene
CID 21932919
1-Methyl-4,5-diphenyl-2-(2-phenylethyl)imidazole
CID 72163802
N-ethyl-N-[(1-methyl-4,5-diphenylimidazol-2-yl)methyl]aniline
CID 72164407
1H-Imidazole, 2,2'-(1,3-phenylene)bis[4,5-diphenyl-
CID 1968183
1H-Imidazole, 2,4,5-triphenyl-1-(phenylmethyl)-
CID 3615012
1H-Imidazole, 2,4,5-triphenyl-1-(2,4,5-triphenyl-2H-imidazol-2-yl)-
CID 81608

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole?
The IUPAC name of 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole (CID 91067167) is 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole.
What is the SMILES notation for 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole?
The canonical SMILES for 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole is Cn1c(C(c2nc(-c3ccccc3)c(-c3ccccc3)n2C)c2nc(-c3ccccc3)c(-c3ccccc3)n2C)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole?
The InChIKey is BNXIOQQGEQBYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N6/c1-53-44(37-28-16-7-17-29-37)41(34-22-10-4-11-23-34)50-47(53)40(48-51-42(35-24-12-5-13-25-35)45(54(48)2)38-30-18-8-19-31-38)49-52-43(36-26-14-6-15-27-36)46(55(49)3)39-32-20-9-21-33-39/h4-33,40H,1-3H3.
What are the key properties of 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole?
2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole has a molecular weight of 712.90 g/mol, XLogP of 11.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-methyl-4,5-diphenylimidazol-2-yl)methyl]-1-methyl-4,5-diphenylimidazole is sourced from PubChem (CID 91067167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).