2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole

C40H34N4 — CID 98376115

IUPAC2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole
SMILESCc1ccc(C2=NC(c3cccc(-c4nc(-c5ccc(C)cc5)c(-c5ccc(C)cc5)[nH]4)c3)=N[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C40H34N4/c1-25-8-16-29(17-9-25)35-36(30-18-10-26(2)11-19-30)42-39(41-35)33-6-5-7-34(24-33)40-43-37(31-20-12-27(3)13-21-31)38(44-40)32-22-14-28(4)15-23-32/h5-24,35H,1-4H3,(H,43,44)/t35-/m1/s1
InChIKeyJOCVEASSAWVELH-PGUFJCEWSA-N
MW570.74 g/mol
LogP9.64
Rot. Bonds6

About 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole

2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole (PubChem CID 98376115) has the molecular formula C40H34N4 and a molecular weight of 570.74 g/mol. Its IUPAC name is 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole
PubChem CID98376115
Molecular FormulaC40H34N4
Molecular Weight570.74 g/mol
Exact Mass570.28
IUPAC Name2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole
SMILESCc1ccc(C2=NC(c3cccc(-c4nc(-c5ccc(C)cc5)c(-c5ccc(C)cc5)[nH]4)c3)=N[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C40H34N4/c1-25-8-16-29(17-9-25)35-36(30-18-10-26(2)11-19-30)42-39(41-35)33-6-5-7-34(24-33)40-43-37(31-20-12-27(3)13-21-31)38(44-40)32-22-14-28(4)15-23-32/h5-24,35H,1-4H3,(H,43,44)/t35-/m1/s1
InChIKeyJOCVEASSAWVELH-PGUFJCEWSA-N
XLogP9.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole?
The IUPAC name of 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole (CID 98376115) is 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole is Cc1ccc(C2=NC(c3cccc(-c4nc(-c5ccc(C)cc5)c(-c5ccc(C)cc5)[nH]4)c3)=N[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole?
The InChIKey is JOCVEASSAWVELH-PGUFJCEWSA-N. The full InChI is InChI=1S/C40H34N4/c1-25-8-16-29(17-9-25)35-36(30-18-10-26(2)11-19-30)42-39(41-35)33-6-5-7-34(24-33)40-43-37(31-20-12-27(3)13-21-31)38(44-40)32-22-14-28(4)15-23-32/h5-24,35H,1-4H3,(H,43,44)/t35-/m1/s1.
What are the key properties of 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole?
2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole has a molecular weight of 570.74 g/mol, XLogP of 9.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole is sourced from PubChem (CID 98376115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).