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

C38H30N4 — CID 102256803

IUPAC1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
SMILESCn1c(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3C)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H30N4/c1-41-35(29-19-11-5-12-20-29)33(27-15-7-3-8-16-27)39-37(41)31-23-25-32(26-24-31)38-40-34(28-17-9-4-10-18-28)36(42(38)2)30-21-13-6-14-22-30/h3-26H,1-2H3
InChIKeyBNTIHLOFTLLJKD-UHFFFAOYSA-N
MW542.69 g/mol
LogP9.16
Rot. Bonds6

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

1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole (PubChem CID 102256803) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
PubChem CID102256803
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
SMILESCn1c(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3C)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H30N4/c1-41-35(29-19-11-5-12-20-29)33(27-15-7-3-8-16-27)39-37(41)31-23-25-32(26-24-31)38-40-34(28-17-9-4-10-18-28)36(42(38)2)30-21-13-6-14-22-30/h3-26H,1-2H3
InChIKeyBNTIHLOFTLLJKD-UHFFFAOYSA-N
XLogP9.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole?
The IUPAC name of 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole (CID 102256803) is 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole.
What is the SMILES notation for 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole?
The canonical SMILES for 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole is Cn1c(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3C)cc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole?
The InChIKey is BNTIHLOFTLLJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-41-35(29-19-11-5-12-20-29)33(27-15-7-3-8-16-27)39-37(41)31-23-25-32(26-24-31)38-40-34(28-17-9-4-10-18-28)36(42(38)2)30-21-13-6-14-22-30/h3-26H,1-2H3.
What are the key properties of 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole?
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole has a molecular weight of 542.69 g/mol, XLogP of 9.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole is sourced from PubChem (CID 102256803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).