N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide

C14H10BrClN4OS — CID 6498506

IUPACN-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN4OS/c15-8-1-4-12(17-6-8)20-13(21)7-22-14-18-10-3-2-9(16)5-11(10)19-14/h1-6H,7H2,(H,18,19)(H,17,20,21)
InChIKeyIEVQDKYXKYBDBQ-UHFFFAOYSA-N
MW397.69 g/mol
LogP4.10
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 6498506) has the molecular formula C14H10BrClN4OS and a molecular weight of 397.69 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID6498506
Molecular FormulaC14H10BrClN4OS
Molecular Weight397.69 g/mol
Exact Mass395.94
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN4OS/c15-8-1-4-12(17-6-8)20-13(21)7-22-14-18-10-3-2-9(16)5-11(10)19-14/h1-6H,7H2,(H,18,19)(H,17,20,21)
InChIKeyIEVQDKYXKYBDBQ-UHFFFAOYSA-N
XLogP4.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.69
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4818018
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084598
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-chlorophenyl)sulfanylacetamide
CID 1325893
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
N-(5-bromo-2-pyridinyl)-2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 163506125
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 2086667
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 24567653
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-pyrazin-2-yloxyphenyl)acetamide
CID 86282814

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 6498506) is N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is IEVQDKYXKYBDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4OS/c15-8-1-4-12(17-6-8)20-13(21)7-22-14-18-10-3-2-9(16)5-11(10)19-14/h1-6H,7H2,(H,18,19)(H,17,20,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 397.69 g/mol, XLogP of 4.10, 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-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6498506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).