4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline

C40H36N6 — CID 3106619

IUPAC4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4[nH]c(-c5ccc(N(C)C)cc5)nc4-c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C40H36N6/c1-45(2)33-23-19-31(20-24-33)39-41-35(27-11-7-5-8-12-27)37(43-39)29-15-17-30(18-16-29)38-36(28-13-9-6-10-14-28)42-40(44-38)32-21-25-34(26-22-32)46(3)4/h5-26H,1-4H3,(H,41,43)(H,42,44)
InChIKeyLMKXIBNDDFWNLZ-UHFFFAOYSA-N
MW600.77 g/mol
LogP9.27
Rot. Bonds8

About 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline

4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline (PubChem CID 3106619) has the molecular formula C40H36N6 and a molecular weight of 600.77 g/mol. Its IUPAC name is 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
PubChem CID3106619
Molecular FormulaC40H36N6
Molecular Weight600.77 g/mol
Exact Mass600.30
IUPAC Name4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4[nH]c(-c5ccc(N(C)C)cc5)nc4-c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C40H36N6/c1-45(2)33-23-19-31(20-24-33)39-41-35(27-11-7-5-8-12-27)37(43-39)29-15-17-30(18-16-29)38-36(28-13-9-6-10-14-28)42-40(44-38)32-21-25-34(26-22-32)46(3)4/h5-26H,1-4H3,(H,41,43)(H,42,44)
InChIKeyLMKXIBNDDFWNLZ-UHFFFAOYSA-N
XLogP9.27
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 59.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline (CID 3106619) is 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4[nH]c(-c5ccc(N(C)C)cc5)nc4-c4ccccc4)cc3)[nH]2)cc1.
What is the InChIKey of 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline?
The InChIKey is LMKXIBNDDFWNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N6/c1-45(2)33-23-19-31(20-24-33)39-41-35(27-11-7-5-8-12-27)37(43-39)29-15-17-30(18-16-29)38-36(28-13-9-6-10-14-28)42-40(44-38)32-21-25-34(26-22-32)46(3)4/h5-26H,1-4H3,(H,41,43)(H,42,44).
What are the key properties of 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline?
4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline has a molecular weight of 600.77 g/mol, XLogP of 9.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 3106619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).