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

C18H13F3N6O3 — CID 1016391

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N6O3/c19-18(20,21)29-11-7-5-10(6-8-11)23-14(28)9-27-13-4-2-1-3-12(13)24-17(27)15-16(22)26-30-25-15/h1-8H,9H2,(H2,22,26)(H,23,28)
InChIKeyPFJXDDCCRPPNQO-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.21
Rot. Bonds5

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 1016391) has the molecular formula C18H13F3N6O3 and a molecular weight of 418.34 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID1016391
Molecular FormulaC18H13F3N6O3
Molecular Weight418.34 g/mol
Exact Mass418.10
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N6O3/c19-18(20,21)29-11-7-5-10(6-8-11)23-14(28)9-27-13-4-2-1-3-12(13)24-17(27)15-16(22)26-30-25-15/h1-8H,9H2,(H2,22,26)(H,23,28)
InChIKeyPFJXDDCCRPPNQO-UHFFFAOYSA-N
XLogP3.21
TPSA121.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)acetamide
CID 16099858
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(2-butoxyphenyl)acetamide
CID 3240826
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 1259819
4-[1-[(3-Methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
CID 1506381
N-{4-[1-(3-methoxybenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl}acetamide
CID 4919603
2-(2-thiazol-4-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24538043
4-(1-(2-methoxyphenyl)-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 46883124
4-(1-(4-methoxyphenyl)-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 46883125
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1077056
2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 649329
N-(4-ethoxyphenyl)-2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]acetamide
CID 1469516
N-{2-[1-(4-phenoxybutyl)-1H-benzimidazol-2-yl]ethyl}acetamide
CID 2989395

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 1016391) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PFJXDDCCRPPNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O3/c19-18(20,21)29-11-7-5-10(6-8-11)23-14(28)9-27-13-4-2-1-3-12(13)24-17(27)15-16(22)26-30-25-15/h1-8H,9H2,(H2,22,26)(H,23,28).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 418.34 g/mol, XLogP of 3.21, 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-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 1016391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).