2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H17N5O2S — CID 651389

IUPAC2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(SCC(=O)Nc4cc(C)on4)nc3)[nH]c2c1
InChIInChI=1S/C19H17N5O2S/c1-11-3-5-14-15(7-11)22-19(21-14)13-4-6-18(20-9-13)27-10-17(25)23-16-8-12(2)26-24-16/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyVJVIPZICOYQWJL-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.96
Rot. Bonds5

About 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 651389) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID651389
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(SCC(=O)Nc4cc(C)on4)nc3)[nH]c2c1
InChIInChI=1S/C19H17N5O2S/c1-11-3-5-14-15(7-11)22-19(21-14)13-4-6-18(20-9-13)27-10-17(25)23-16-8-12(2)26-24-16/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24,25)
InChIKeyVJVIPZICOYQWJL-UHFFFAOYSA-N
XLogP3.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655186
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CID 3231104
1-(2,3-Dihydro-indol-1-yl)-2-[5-(6-methyl-1H-benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-ethanone
CID 3231105
N-(5-methylisoxazol-3-yl)-2-((1-(m-tolyl)-1H-imidazol-2-yl)thio)acetamide
CID 3236861
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-[10-[2-(dimethylamino)ethylamino]-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-4-yl]phenyl]urea
CID 71611606
2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2522692
2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7118819
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 7118780
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetamide
CID 7118918
2-((1-methyl-5-phenyl-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 16305631
2-((6-(4-(1H-imidazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 18573969
2-((1-allyl-5-(3-nitrophenyl)-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 49671643

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 651389) is 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc2nc(-c3ccc(SCC(=O)Nc4cc(C)on4)nc3)[nH]c2c1.
What is the InChIKey of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VJVIPZICOYQWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-11-3-5-14-15(7-11)22-19(21-14)13-4-6-18(20-9-13)27-10-17(25)23-16-8-12(2)26-24-16/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24,25).
What are the key properties of 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 379.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 651389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).