2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide

C16H13Br2N3OS — CID 17246561

IUPAC2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1Br
InChIInChI=1S/C16H13Br2N3OS/c1-9-2-4-11(7-12(9)18)19-15(22)8-23-16-20-13-5-3-10(17)6-14(13)21-16/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyUKJNMLVWJZAIIZ-UHFFFAOYSA-N
MW455.18 g/mol
LogP5.13
Rot. Bonds4

About 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide

2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide (PubChem CID 17246561) has the molecular formula C16H13Br2N3OS and a molecular weight of 455.18 g/mol. Its IUPAC name is 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide
PubChem CID17246561
Molecular FormulaC16H13Br2N3OS
Molecular Weight455.18 g/mol
Exact Mass452.91
IUPAC Name2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1Br
InChIInChI=1S/C16H13Br2N3OS/c1-9-2-4-11(7-12(9)18)19-15(22)8-23-16-20-13-5-3-10(17)6-14(13)21-16/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyUKJNMLVWJZAIIZ-UHFFFAOYSA-N
XLogP5.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.18
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7225656
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536
methyl 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 17246556
ethyl 3-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 17246559
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
N-(4-bromophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide;hydrochloride
CID 163325535
N'-[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 17246584
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 1019067
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide;hydrochloride
CID 163326111
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 2120359

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide (CID 17246561) is 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1Br.
What is the InChIKey of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide?
The InChIKey is UKJNMLVWJZAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3OS/c1-9-2-4-11(7-12(9)18)19-15(22)8-23-16-20-13-5-3-10(17)6-14(13)21-16/h2-7H,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide?
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide has a molecular weight of 455.18 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 17246561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).