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

C20H20N6O5 — CID 1259819

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H20N6O5/c1-28-14-8-11(9-15(29-2)18(14)30-3)22-16(27)10-26-13-7-5-4-6-12(13)23-20(26)17-19(21)25-31-24-17/h4-9H,10H2,1-3H3,(H2,21,25)(H,22,27)
InChIKeyILVNNMOVPPCHLU-UHFFFAOYSA-N
MW424.42 g/mol
LogP2.33
Rot. Bonds7

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 1259819) has the molecular formula C20H20N6O5 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID1259819
Molecular FormulaC20H20N6O5
Molecular Weight424.42 g/mol
Exact Mass424.15
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H20N6O5/c1-28-14-8-11(9-15(29-2)18(14)30-3)22-16(27)10-26-13-7-5-4-6-12(13)23-20(26)17-19(21)25-31-24-17/h4-9H,10H2,1-3H3,(H2,21,25)(H,22,27)
InChIKeyILVNNMOVPPCHLU-UHFFFAOYSA-N
XLogP2.33
TPSA139.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
CID 23536770
2-ethyl-1-[(3R)-1-[(5-methoxy-1H-1,3-benzodiazol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776358
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1016391
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1077056
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1207917
N-{(2S)-1-[(3,5-dimethoxyphenyl)amino]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
CID 17584560
1-{4-[2-(1-Ethyl-1H-1,3-benzodiazol-2-YL)ethyl]phenyl}-3-(3,4,5-trimethoxyphenyl)urea
CID 46382319
4-(1-cyclobutyl-5-methoxy-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 46883165
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 9507785
4-(1-Ethyl-5-methoxy-1H-benzoimidazol-2-yl)-furazan-3-ylamine
CID 10308125
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 17583018
7-(2-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44411304

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 1259819) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ILVNNMOVPPCHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O5/c1-28-14-8-11(9-15(29-2)18(14)30-3)22-16(27)10-26-13-7-5-4-6-12(13)23-20(26)17-19(21)25-31-24-17/h4-9H,10H2,1-3H3,(H2,21,25)(H,22,27).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 424.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 1259819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).