N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C24H18ClN5O2S — CID 172643805

IUPACN-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc2nc(-c3ccc(-c4nnc(SCC(=O)Nc5ccc(Cl)cc5)o4)cc3)[nH]c2c1
InChIInChI=1S/C24H18ClN5O2S/c1-14-2-11-19-20(12-14)28-22(27-19)15-3-5-16(6-4-15)23-29-30-24(32-23)33-13-21(31)26-18-9-7-17(25)8-10-18/h2-12H,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyZKMSSOCKYAVQTN-UHFFFAOYSA-N
MW475.96 g/mol
LogP5.97
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 172643805) has the molecular formula C24H18ClN5O2S and a molecular weight of 475.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID172643805
Molecular FormulaC24H18ClN5O2S
Molecular Weight475.96 g/mol
Exact Mass475.09
IUPAC NameN-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc2nc(-c3ccc(-c4nnc(SCC(=O)Nc5ccc(Cl)cc5)o4)cc3)[nH]c2c1
InChIInChI=1S/C24H18ClN5O2S/c1-14-2-11-19-20(12-14)28-22(27-19)15-3-5-16(6-4-15)23-29-30-24(32-23)33-13-21(31)26-18-9-7-17(25)8-10-18/h2-12H,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyZKMSSOCKYAVQTN-UHFFFAOYSA-N
XLogP5.97
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.96
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 171035802
2-[[5-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 172640647
2-[[5-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 172640662
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[[5-[4-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 172640669
2-[[5-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 171035799
N-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-2-[[5-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 171935866
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 27365004
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 56735774
N-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1112961
N-[4-(4-chlorophenoxy)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3255852

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 172643805) is N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc2nc(-c3ccc(-c4nnc(SCC(=O)Nc5ccc(Cl)cc5)o4)cc3)[nH]c2c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZKMSSOCKYAVQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2S/c1-14-2-11-19-20(12-14)28-22(27-19)15-3-5-16(6-4-15)23-29-30-24(32-23)33-13-21(31)26-18-9-7-17(25)8-10-18/h2-12H,13H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 475.96 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 172643805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).