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

C17H13ClN6O2 — CID 1006981

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H13ClN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25)
InChIKeyWFXICEVOMNRSBI-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.96
Rot. Bonds4

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 1006981) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID1006981
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H13ClN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25)
InChIKeyWFXICEVOMNRSBI-UHFFFAOYSA-N
XLogP2.96
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-yl]-acetamide
CID 594201
2-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 628691
2-(4-Amino-1,2,5-oxadiazol-3-yl)-N-(1,1-dimethylethyl)-1H-benzimidazole-1-acetamide
CID 674413
N-{4-[1-(3-methylbutyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl}acetamide
CID 714168
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 1130343
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 1130351
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3-bromophenyl)acetamide
CID 1330012
N-[4-(1-Benzyl-1H-benzoimidazol-2-yl)-furazan-3-yl]-acetamide
CID 3140709
1-(2-Chlorophenyl)-3-(1-Methylbenzimidazol-2-Yl)urea
CID 35280363
N-(2-chlorophenyl)-N'-(1,2-dimethyl-1H-benzimidazol-5-yl)urea
CID 893667
4-[1-(2-Chloro-4-fluorobenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 588745
2-[2-(4-Amino-furazan-3-yl)-benzoimidazol-1-yl]-1-piperidin-1-yl-ethanone
CID 653316

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide (CID 1006981) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide is Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is WFXICEVOMNRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 368.78 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-(2-chlorophenyl)acetamide is sourced from PubChem (CID 1006981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).