N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide

C21H20BrN5O3 — CID 50842786

IUPACN-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
SMILESCc1nc(-c2ccc3c(c2)n(CC(=O)Nc2cccc(Br)c2)c(=O)n3C(C)C)no1
InChIInChI=1S/C21H20BrN5O3/c1-12(2)27-17-8-7-14(20-23-13(3)30-25-20)9-18(17)26(21(27)29)11-19(28)24-16-6-4-5-15(22)10-16/h4-10,12H,11H2,1-3H3,(H,24,28)
InChIKeyYRGPKOQCQPEGCE-UHFFFAOYSA-N
MW470.33 g/mol
LogP4.14
Rot. Bonds5

About N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide

N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide (PubChem CID 50842786) has the molecular formula C21H20BrN5O3 and a molecular weight of 470.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
PubChem CID50842786
Molecular FormulaC21H20BrN5O3
Molecular Weight470.33 g/mol
Exact Mass469.07
IUPAC NameN-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
SMILESCc1nc(-c2ccc3c(c2)n(CC(=O)Nc2cccc(Br)c2)c(=O)n3C(C)C)no1
InChIInChI=1S/C21H20BrN5O3/c1-12(2)27-17-8-7-14(20-23-13(3)30-25-20)9-18(17)26(21(27)29)11-19(28)24-16-6-4-5-15(22)10-16/h4-10,12H,11H2,1-3H3,(H,24,28)
InChIKeyYRGPKOQCQPEGCE-UHFFFAOYSA-N
XLogP4.14
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
CID 50842689
N-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
CID 50842812
N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139133
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366676
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
CID 51366667
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 60697679
N-(3-acetylphenyl)-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082832

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide (CID 50842786) is N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide is Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2cccc(Br)c2)c(=O)n3C(C)C)no1.
What is the InChIKey of N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
The InChIKey is YRGPKOQCQPEGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O3/c1-12(2)27-17-8-7-14(20-23-13(3)30-25-20)9-18(17)26(21(27)29)11-19(28)24-16-6-4-5-15(22)10-16/h4-10,12H,11H2,1-3H3,(H,24,28).
What are the key properties of N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide has a molecular weight of 470.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide is sourced from PubChem (CID 50842786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).