4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide

C28H25N5O3 — CID 166377017

IUPAC4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)Nc3nc4ccccc4n3CCCn3ccnc3)cc2)cc1
InChIInChI=1S/C28H25N5O3/c1-20(34)21-7-11-23(12-8-21)36-24-13-9-22(10-14-24)27(35)31-28-30-25-5-2-3-6-26(25)33(28)17-4-16-32-18-15-29-19-32/h2-3,5-15,18-19H,4,16-17H2,1H3,(H,30,31,35)
InChIKeyFZAOPPZELFRLFI-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.57
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide

4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide (PubChem CID 166377017) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide
PubChem CID166377017
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)Nc3nc4ccccc4n3CCCn3ccnc3)cc2)cc1
InChIInChI=1S/C28H25N5O3/c1-20(34)21-7-11-23(12-8-21)36-24-13-9-22(10-14-24)27(35)31-28-30-25-5-2-3-6-26(25)33(28)17-4-16-32-18-15-29-19-32/h2-3,5-15,18-19H,4,16-17H2,1H3,(H,30,31,35)
InChIKeyFZAOPPZELFRLFI-UHFFFAOYSA-N
XLogP5.57
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 154861318
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
2-(4-acetylanilino)-3-(3-imidazol-1-ylpropyl)-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
CID 59695235
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
CID 4044810
3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide (CID 166377017) is 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide is CC(=O)c1ccc(Oc2ccc(C(=O)Nc3nc4ccccc4n3CCCn3ccnc3)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide?
The InChIKey is FZAOPPZELFRLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-20(34)21-7-11-23(12-8-21)36-24-13-9-22(10-14-24)27(35)31-28-30-25-5-2-3-6-26(25)33(28)17-4-16-32-18-15-29-19-32/h2-3,5-15,18-19H,4,16-17H2,1H3,(H,30,31,35).
What are the key properties of 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide?
4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide has a molecular weight of 479.54 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 166377017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).