N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C15H13BrN4OS — CID 163506125

IUPACN-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc2[nH]c(SCC(=O)Nc3ccc(Br)cn3)nc12
InChIInChI=1S/C15H13BrN4OS/c1-9-3-2-4-11-14(9)20-15(18-11)22-8-13(21)19-12-6-5-10(16)7-17-12/h2-7H,8H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyCYSKCDPNOPYCJI-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.76
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 163506125) has the molecular formula C15H13BrN4OS and a molecular weight of 377.27 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID163506125
Molecular FormulaC15H13BrN4OS
Molecular Weight377.27 g/mol
Exact Mass376.00
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc2[nH]c(SCC(=O)Nc3ccc(Br)cn3)nc12
InChIInChI=1S/C15H13BrN4OS/c1-9-3-2-4-11-14(9)20-15(18-11)22-8-13(21)19-12-6-5-10(16)7-17-12/h2-7H,8H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyCYSKCDPNOPYCJI-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135448860
N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16766269
N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 6498506
N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 720190
ethyl 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
CID 71296297
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17413369
N-(5-bromo-2-pyridinyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5027984
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 1019067
N-(5-bromo-2-pyridinyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17301531
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6472561
N-(5-bromo-2-pyridinyl)-2-[[5-[1-(2,3-dimethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17306303

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 163506125) is N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1cccc2[nH]c(SCC(=O)Nc3ccc(Br)cn3)nc12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is CYSKCDPNOPYCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4OS/c1-9-3-2-4-11-14(9)20-15(18-11)22-8-13(21)19-12-6-5-10(16)7-17-12/h2-7H,8H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 377.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 163506125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).