N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide

C18H18FN3OS — CID 24557244

IUPACN-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nc2ccc(C)cc2[nH]1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS/c1-3-16(17(23)20-13-7-5-12(19)6-8-13)24-18-21-14-9-4-11(2)10-15(14)22-18/h4-10,16H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySCNPAMKTUBHKQJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.52
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide

N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide (PubChem CID 24557244) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
PubChem CID24557244
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nc2ccc(C)cc2[nH]1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FN3OS/c1-3-16(17(23)20-13-7-5-12(19)6-8-13)24-18-21-14-9-4-11(2)10-15(14)22-18/h4-10,16H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySCNPAMKTUBHKQJ-UHFFFAOYSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 62901634
(2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 41281946
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
CID 20908523
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
N-(4-fluorophenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685361
N-[3-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18906879
2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 20890966
2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18122585
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92701625
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2537243

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide (CID 24557244) is N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide is CCC(Sc1nc2ccc(C)cc2[nH]1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide?
The InChIKey is SCNPAMKTUBHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-3-16(17(23)20-13-7-5-12(19)6-8-13)24-18-21-14-9-4-11(2)10-15(14)22-18/h4-10,16H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide?
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide has a molecular weight of 343.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 24557244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).