1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole

C38H30N4 — CID 15794353

IUPAC1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
SMILESc1ccc(-c2ncn(Cc3cccc(Cn4cnc(-c5ccccc5)c4-c4ccccc4)c3)c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28H,25-26H2
InChIKeyIUFJLKVSHBQHOV-UHFFFAOYSA-N
MW542.69 g/mol
LogP8.84
Rot. Bonds8

About 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole

1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole (PubChem CID 15794353) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
PubChem CID15794353
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
SMILESc1ccc(-c2ncn(Cc3cccc(Cn4cnc(-c5ccccc5)c4-c4ccccc4)c3)c2-c2ccccc2)cc1
InChIInChI=1S/C38H30N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28H,25-26H2
InChIKeyIUFJLKVSHBQHOV-UHFFFAOYSA-N
XLogP8.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
The IUPAC name of 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole (CID 15794353) is 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole is c1ccc(-c2ncn(Cc3cccc(Cn4cnc(-c5ccccc5)c4-c4ccccc4)c3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
The InChIKey is IUFJLKVSHBQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28H,25-26H2.
What are the key properties of 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole?
1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole has a molecular weight of 542.69 g/mol, XLogP of 8.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole is sourced from PubChem (CID 15794353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).