N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide

C46H34N6O3 — CID 135495715

IUPACN-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(NC(C)=O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C46H34N6O3/c1-27(53)47-35-19-13-31(14-20-35)45-49-41(29-9-5-3-6-10-29)43(51-45)33-17-23-39-37(25-33)38-26-34(18-24-40(38)55-39)44-42(30-11-7-4-8-12-30)50-46(52-44)32-15-21-36(22-16-32)48-28(2)54/h3-26H,1-2H3,(H,47,53)(H,48,54)(H,49,51)(H,50,52)
InChIKeyXOHFAMMZQXYESL-UHFFFAOYSA-N
MW718.82 g/mol
LogP10.95
Rot. Bonds8

About N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide

N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide (PubChem CID 135495715) has the molecular formula C46H34N6O3 and a molecular weight of 718.82 g/mol. Its IUPAC name is N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide
PubChem CID135495715
Molecular FormulaC46H34N6O3
Molecular Weight718.82 g/mol
Exact Mass718.27
IUPAC NameN-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(NC(C)=O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C46H34N6O3/c1-27(53)47-35-19-13-31(14-20-35)45-49-41(29-9-5-3-6-10-29)43(51-45)33-17-23-39-37(25-33)38-26-34(18-24-40(38)55-39)44-42(30-11-7-4-8-12-30)50-46(52-44)32-15-21-36(22-16-32)48-28(2)54/h3-26H,1-2H3,(H,47,53)(H,48,54)(H,49,51)(H,50,52)
InChIKeyXOHFAMMZQXYESL-UHFFFAOYSA-N
XLogP10.95
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 510.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide (CID 135495715) is N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(NC(C)=O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
The InChIKey is XOHFAMMZQXYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N6O3/c1-27(53)47-35-19-13-31(14-20-35)45-49-41(29-9-5-3-6-10-29)43(51-45)33-17-23-39-37(25-33)38-26-34(18-24-40(38)55-39)44-42(30-11-7-4-8-12-30)50-46(52-44)32-15-21-36(22-16-32)48-28(2)54/h3-26H,1-2H3,(H,47,53)(H,48,54)(H,49,51)(H,50,52).
What are the key properties of N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide has a molecular weight of 718.82 g/mol, XLogP of 10.95, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 135495715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).