2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C20H19N5O2S — CID 43068208

IUPAC2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)o1
InChIInChI=1S/C20H19N5O2S/c1-13(2)18-23-24-19(27-18)22-17(26)12-28-20-21-15-10-6-7-11-16(15)25(20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,22,24,26)
InChIKeyRSYGVGCMSNRDRZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.26
Rot. Bonds6

About 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 43068208) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID43068208
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)o1
InChIInChI=1S/C20H19N5O2S/c1-13(2)18-23-24-19(27-18)22-17(26)12-28-20-21-15-10-6-7-11-16(15)25(20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,22,24,26)
InChIKeyRSYGVGCMSNRDRZ-UHFFFAOYSA-N
XLogP4.26
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52582277
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52582273
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 25343817
N-(dicyclopropylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 30906594
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43068228
N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 26888965
N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 43068208) is 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)o1.
What is the InChIKey of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is RSYGVGCMSNRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-13(2)18-23-24-19(27-18)22-17(26)12-28-20-21-15-10-6-7-11-16(15)25(20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,22,24,26).
What are the key properties of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 43068208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).