N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

C15H13BrN4O3S — CID 38991133

IUPACN-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCS(=O)(=O)c1nc2ccccc2n1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H13BrN4O3S/c1-24(22,23)15-18-11-4-2-3-5-12(11)20(15)9-14(21)19-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,19,21)
InChIKeyVZEKUYKONAIQLC-UHFFFAOYSA-N
MW409.27 g/mol
LogP2.24
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 38991133) has the molecular formula C15H13BrN4O3S and a molecular weight of 409.27 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID38991133
Molecular FormulaC15H13BrN4O3S
Molecular Weight409.27 g/mol
Exact Mass407.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCS(=O)(=O)c1nc2ccccc2n1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H13BrN4O3S/c1-24(22,23)15-18-11-4-2-3-5-12(11)20(15)9-14(21)19-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,19,21)
InChIKeyVZEKUYKONAIQLC-UHFFFAOYSA-N
XLogP2.24
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
N-(2-chloro-4-nitrophenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835316
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835421
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756
N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 43034758
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 55463202
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 27934156
4-(2-methylsulfonylbenzimidazol-1-yl)butan-2-one
CID 30906910
1-(4-ethoxyphenyl)-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 30906896
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
CID 15997885
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
N,N-bis(2-cyanoethyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835332

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (CID 38991133) is N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is CS(=O)(=O)c1nc2ccccc2n1CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is VZEKUYKONAIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O3S/c1-24(22,23)15-18-11-4-2-3-5-12(11)20(15)9-14(21)19-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 409.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 38991133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).