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

C18H16N6O3 — CID 1077056

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C18H16N6O3/c1-26-12-6-4-5-11(9-12)20-15(25)10-24-14-8-3-2-7-13(14)21-18(24)16-17(19)23-27-22-16/h2-9H,10H2,1H3,(H2,19,23)(H,20,25)
InChIKeyKTOFHGMVWAJYMB-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.32
Rot. Bonds5

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 1077056) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID1077056
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C18H16N6O3/c1-26-12-6-4-5-11(9-12)20-15(25)10-24-14-8-3-2-7-13(14)21-18(24)16-17(19)23-27-22-16/h2-9H,10H2,1H3,(H2,19,23)(H,20,25)
InChIKeyKTOFHGMVWAJYMB-UHFFFAOYSA-N
XLogP2.32
TPSA121.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide (CID 1077056) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is KTOFHGMVWAJYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-26-12-6-4-5-11(9-12)20-15(25)10-24-14-8-3-2-7-13(14)21-18(24)16-17(19)23-27-22-16/h2-9H,10H2,1H3,(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-(3-methoxyphenyl)acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 364.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-methoxyphenyl)acetamide is sourced from PubChem (CID 1077056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).