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

C22H22ClN5O3 — CID 50842812

IUPACN-(3-chloro-2-methylphenyl)-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(Cl)c2C)c(=O)n3C(C)C)no1
InChIInChI=1S/C22H22ClN5O3/c1-12(2)28-18-9-8-15(21-24-14(4)31-26-21)10-19(18)27(22(28)30)11-20(29)25-17-7-5-6-16(23)13(17)3/h5-10,12H,11H2,1-4H3,(H,25,29)
InChIKeyIWUIWXBYJJZZPK-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.34
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide (PubChem CID 50842812) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide
PubChem CID50842812
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC NameN-(3-chloro-2-methylphenyl)-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(Cl)c2C)c(=O)n3C(C)C)no1
InChIInChI=1S/C22H22ClN5O3/c1-12(2)28-18-9-8-15(21-24-14(4)31-26-21)10-19(18)27(22(28)30)11-20(29)25-17-7-5-6-16(23)13(17)3/h5-10,12H,11H2,1-4H3,(H,25,29)
InChIKeyIWUIWXBYJJZZPK-UHFFFAOYSA-N
XLogP4.34
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.34
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-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)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
N-(3-chloro-2-methylphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371305
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139129
N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086714
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757053
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238000
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide (CID 50842812) is N-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-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(Cl)c2C)c(=O)n3C(C)C)no1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
The InChIKey is IWUIWXBYJJZZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-12(2)28-18-9-8-15(21-24-14(4)31-26-21)10-19(18)27(22(28)30)11-20(29)25-17-7-5-6-16(23)13(17)3/h5-10,12H,11H2,1-4H3,(H,25,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide has a molecular weight of 439.90 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-1-yl]acetamide is sourced from PubChem (CID 50842812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).