2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide

C17H16BrN3OS — CID 1019067

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CSc2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C17H16BrN3OS/c1-10-7-12(18)15(8-11(10)2)19-16(22)9-23-17-20-13-5-3-4-6-14(13)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOWPNQOSMOCRVOV-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.67
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide (PubChem CID 1019067) has the molecular formula C17H16BrN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
PubChem CID1019067
Molecular FormulaC17H16BrN3OS
Molecular Weight390.31 g/mol
Exact Mass389.02
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CSc2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C17H16BrN3OS/c1-10-7-12(18)15(8-11(10)2)19-16(22)9-23-17-20-13-5-3-4-6-14(13)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOWPNQOSMOCRVOV-UHFFFAOYSA-N
XLogP4.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 6459655
N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4645173
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7755963
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 23824405
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7755957
methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 11837298
N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 126178248
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 7756005
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide
CID 17246561
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 155911972
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide (CID 1019067) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide is Cc1cc(Br)c(NC(=O)CSc2nc3ccccc3[nH]2)cc1C.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide?
The InChIKey is OWPNQOSMOCRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3OS/c1-10-7-12(18)15(8-11(10)2)19-16(22)9-23-17-20-13-5-3-4-6-14(13)21-17/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide has a molecular weight of 390.31 g/mol, XLogP of 4.67, 4 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-(2-bromo-4,5-dimethylphenyl)acetamide is sourced from PubChem (CID 1019067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).