N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide

C19H16N6O3 — CID 1016406

IUPACN-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C19H16N6O3/c1-11(26)12-5-4-6-13(9-12)21-16(27)10-25-15-8-3-2-7-14(15)22-19(25)17-18(20)24-28-23-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,27)
InChIKeyGAJUQJLKLWPSNR-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.51
Rot. Bonds5

About N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide

N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide (PubChem CID 1016406) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
PubChem CID1016406
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C19H16N6O3/c1-11(26)12-5-4-6-13(9-12)21-16(27)10-25-15-8-3-2-7-14(15)22-19(25)17-18(20)24-28-23-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,27)
InChIKeyGAJUQJLKLWPSNR-UHFFFAOYSA-N
XLogP2.51
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 45259014
Avanbulin
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3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide
CID 6918876
N-hydroxy-3-[2-phenethyl-1-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-5-yl]acrylamide
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tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-({4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}amido)pyrrolidine-1-carboxylate
CID 10163627
tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-[(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)amido]pyrrolidine-1-carboxylate
CID 10208262
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzamide
CID 10273657
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-3-nitrobenzamide
CID 719776
(3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}pyrrolidine-3,4-dicarboxamide
CID 10135184
(3S,4S)-3-N-hydroxy-1-(prop-2-yn-1-yl)-4-N-(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)pyrrolidine-3,4-dicarboxamide
CID 10139402
4-[(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide
CID 10223774
3-Nitro-N-[1-Phenyl-5-(Piperidin-1-Ylmethyl)-1h-Benzimidazol-2-Yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide (CID 1016406) is N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide is CC(=O)c1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
The InChIKey is GAJUQJLKLWPSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11(26)12-5-4-6-13(9-12)21-16(27)10-25-15-8-3-2-7-14(15)22-19(25)17-18(20)24-28-23-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,27).
What are the key properties of N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide has a molecular weight of 376.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1016406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).