N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide

C22H19N3OS — CID 2233956

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CSc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C22H19N3OS/c1-15-7-12-19-20(13-15)25-22(24-19)16-8-10-17(11-9-16)23-21(26)14-27-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyOEOSEBFAZSNGNI-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.27
Rot. Bonds5

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 2233956) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
PubChem CID2233956
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CSc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C22H19N3OS/c1-15-7-12-19-20(13-15)25-22(24-19)16-8-10-17(11-9-16)23-21(26)14-27-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyOEOSEBFAZSNGNI-UHFFFAOYSA-N
XLogP5.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Stk857277
CID 950737
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
4-(5-methyl-1H-1,3-benzodiazol-2-yl)aniline
CID 803963
Pyrrolidine-2,5-dione, 1-[4-(2-benzimidazolylthiomethyl)phenyl]-
CID 604704
2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581416
1,3-dimethyl-5-[4-phenyl-2-(thiophen-2-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581429
5-[4-(2-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581649
5-[4-(3-ethylphenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581658
5-[4-(3-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581659
5-[4-(4-fluorophenyl)-2-(thiophen-2-yl)-1H-imidazol-5-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581670
6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
CID 56649677

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide (CID 2233956) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide is Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is OEOSEBFAZSNGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-7-12-19-20(13-15)25-22(24-19)16-8-10-17(11-9-16)23-21(26)14-27-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 373.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 2233956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).