N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C25H24N4O2S — CID 24678812

IUPACN-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H24N4O2S/c1-32-16-15-22(29-24(30)18-7-3-2-4-8-18)25(31)26-19-13-11-17(12-14-19)23-27-20-9-5-6-10-21(20)28-23/h2-14,22H,15-16H2,1H3,(H,26,31)(H,27,28)(H,29,30)
InChIKeyPPRICXTTXBTRJG-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.72
Rot. Bonds8

About N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 24678812) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID24678812
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H24N4O2S/c1-32-16-15-22(29-24(30)18-7-3-2-4-8-18)25(31)26-19-13-11-17(12-14-19)23-27-20-9-5-6-10-21(20)28-23/h2-14,22H,15-16H2,1H3,(H,26,31)(H,27,28)(H,29,30)
InChIKeyPPRICXTTXBTRJG-UHFFFAOYSA-N
XLogP4.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 60556147
4-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 40810651
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112767961
(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1365329
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 25405917
N-[(2R)-1-(3-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 9216131
4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 51065900
4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
2-bromo-N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 2473835
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 24678812) is N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is PPRICXTTXBTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-32-16-15-22(29-24(30)18-7-3-2-4-8-18)25(31)26-19-13-11-17(12-14-19)23-27-20-9-5-6-10-21(20)28-23/h2-14,22H,15-16H2,1H3,(H,26,31)(H,27,28)(H,29,30).
What are the key properties of N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 444.56 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1H-benzimidazol-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24678812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).