4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide

C17H15F2N3OS — CID 22633522

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
SMILESO=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3OS/c18-11-7-8-13(12(19)10-11)20-16(23)6-3-9-24-17-21-14-4-1-2-5-15(14)22-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,23)(H,21,22)
InChIKeyLOQOXGHRSUCZSV-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.35
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide

4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide (PubChem CID 22633522) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
PubChem CID22633522
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
SMILESO=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3OS/c18-11-7-8-13(12(19)10-11)20-16(23)6-3-9-24-17-21-14-4-1-2-5-15(14)22-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,23)(H,21,22)
InChIKeyLOQOXGHRSUCZSV-UHFFFAOYSA-N
XLogP4.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
4-(1H-benzimidazol-2-ylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 2102486
4-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxybutanamide
CID 165347848
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide
CID 8001742
9-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylsulfanyl-3-pyridinyl)nonanamide
CID 22592209
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
6-(1H-benzimidazol-2-ylsulfanyl)hexanoic acid
CID 46784599
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
CID 43218350
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromoethyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 90666189

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide (CID 22633522) is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide is O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide?
The InChIKey is LOQOXGHRSUCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c18-11-7-8-13(12(19)10-11)20-16(23)6-3-9-24-17-21-14-4-1-2-5-15(14)22-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,23)(H,21,22).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide?
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide has a molecular weight of 347.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide is sourced from PubChem (CID 22633522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).