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

C21H20ClN5O3 — CID 50842689

IUPACN-(4-chlorophenyl)-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)Nc2ccc(Cl)cc2)c(=O)n3C(C)C)no1
InChIInChI=1S/C21H20ClN5O3/c1-12(2)27-17-9-4-14(20-23-13(3)30-25-20)10-18(17)26(21(27)29)11-19(28)24-16-7-5-15(22)6-8-16/h4-10,12H,11H2,1-3H3,(H,24,28)
InChIKeyKTWYOMMCUUQDFK-UHFFFAOYSA-N
MW425.88 g/mol
LogP4.03
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide (PubChem CID 50842689) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
PubChem CID50842689
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC NameN-(4-chlorophenyl)-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)Nc2ccc(Cl)cc2)c(=O)n3C(C)C)no1
InChIInChI=1S/C21H20ClN5O3/c1-12(2)27-17-9-4-14(20-23-13(3)30-25-20)10-18(17)26(21(27)29)11-19(28)24-16-7-5-15(22)6-8-16/h4-10,12H,11H2,1-3H3,(H,24,28)
InChIKeyKTWYOMMCUUQDFK-UHFFFAOYSA-N
XLogP4.03
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-bromophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
CID 50842786
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
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
1-(3,4-difluorophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778209
2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 168523907
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 31001493
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 50778928
N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53091170
N-(4-chlorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157399
N-(3-acetylphenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53091181

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide (CID 50842689) is N-(4-chlorophenyl)-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-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-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)Nc2ccc(Cl)cc2)c(=O)n3C(C)C)no1.
What is the InChIKey of N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
The InChIKey is KTWYOMMCUUQDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-12(2)27-17-9-4-14(20-23-13(3)30-25-20)10-18(17)26(21(27)29)11-19(28)24-16-7-5-15(22)6-8-16/h4-10,12H,11H2,1-3H3,(H,24,28).
What are the key properties of N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide has a molecular weight of 425.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide is sourced from PubChem (CID 50842689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).