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

C46H36N6O3 — CID 3106856

IUPACN-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(NC(C)=O)cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1
InChIInChI=1S/C46H36N6O3/c1-29(53)47-37-21-13-35(14-22-37)45-49-41(31-9-5-3-6-10-31)43(51-45)33-17-25-39(26-18-33)55-40-27-19-34(20-28-40)44-42(32-11-7-4-8-12-32)50-46(52-44)36-15-23-38(24-16-36)48-30(2)54/h3-28H,1-2H3,(H,47,53)(H,48,54)(H,49,51)(H,50,52)
InChIKeyNLTLUUSOJYZZFZ-UHFFFAOYSA-N
MW720.83 g/mol
LogP10.84
Rot. Bonds10

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

N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide (PubChem CID 3106856) has the molecular formula C46H36N6O3 and a molecular weight of 720.83 g/mol. Its IUPAC name is N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide
PubChem CID3106856
Molecular FormulaC46H36N6O3
Molecular Weight720.83 g/mol
Exact Mass720.28
IUPAC NameN-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(NC(C)=O)cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1
InChIInChI=1S/C46H36N6O3/c1-29(53)47-37-21-13-35(14-22-37)45-49-41(31-9-5-3-6-10-31)43(51-45)33-17-25-39(26-18-33)55-40-27-19-34(20-28-40)44-42(32-11-7-4-8-12-32)50-46(52-44)36-15-23-38(24-16-36)48-30(2)54/h3-28H,1-2H3,(H,47,53)(H,48,54)(H,49,51)(H,50,52)
InChIKeyNLTLUUSOJYZZFZ-UHFFFAOYSA-N
XLogP10.84
TPSA124.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.83
LogP ≤ 510.84
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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Related Compounds

[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
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CID 456167
2-[4-[[6-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-3H-benzimidazole-5-carboximidamide
CID 122193001
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
CID 20703880
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
1,5-Bis[4-(2-benzimidazolyl)phenoxy]pentane
CID 25010379
2-(4-Phenoxyphenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25114064
2-[4-[4-[4-(1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-1H-benzimidazole
CID 25255484
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[7-[4-(1H-benzimidazol-2-yl)phenoxy]heptoxy]phenyl]-1H-benzimidazole
CID 25255577
4-(5-{4-[2-(4-Aminophenyl)benzimidazol-5-yloxy]phenoxy}benzimidazol-2-yl)pheny lamine
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2-[4-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]-1H-benzimidazole-5-carboxamidine
CID 459983

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide (CID 3106856) is N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(NC(C)=O)cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1.
What is the InChIKey of N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
The InChIKey is NLTLUUSOJYZZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N6O3/c1-29(53)47-37-21-13-35(14-22-37)45-49-41(31-9-5-3-6-10-31)43(51-45)33-17-25-39(26-18-33)55-40-27-19-34(20-28-40)44-42(32-11-7-4-8-12-32)50-46(52-44)36-15-23-38(24-16-36)48-30(2)54/h3-28H,1-2H3,(H,47,53)(H,48,54)(H,49,51)(H,50,52).
What are the key properties of N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide?
N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide has a molecular weight of 720.83 g/mol, XLogP of 10.84, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-[4-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 3106856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).