2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide

C18H18ClN3OS — CID 23772194

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN3OS/c1-3-16(17(23)20-15-10-12(19)9-8-11(15)2)24-18-21-13-6-4-5-7-14(13)22-18/h4-10,16H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOLEGMCJXJWXJDT-UHFFFAOYSA-N
MW359.88 g/mol
LogP5.03
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide (PubChem CID 23772194) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide
PubChem CID23772194
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN3OS/c1-3-16(17(23)20-15-10-12(19)9-8-11(15)2)24-18-21-13-6-4-5-7-14(13)22-18/h4-10,16H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOLEGMCJXJWXJDT-UHFFFAOYSA-N
XLogP5.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)propanamide
CID 3344758
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide
CID 23830244
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
CID 18901086
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 50878281
N-(5-chloro-2-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide
CID 46302000
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136686169
N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
CID 6625456
(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92742256

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide (CID 23772194) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide is CCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide?
The InChIKey is OLEGMCJXJWXJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-3-16(17(23)20-15-10-12(19)9-8-11(15)2)24-18-21-13-6-4-5-7-14(13)22-18/h4-10,16H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide has a molecular weight of 359.88 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 23772194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).