N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide

C17H20N4O2S — CID 4799477

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3n2CC(C)C)no1
InChIInChI=1S/C17H20N4O2S/c1-11(2)9-21-14-7-5-4-6-13(14)18-17(21)24-10-16(22)19-15-8-12(3)23-20-15/h4-8,11H,9-10H2,1-3H3,(H,19,20,22)
InChIKeyNJVOMFSMFBNZCU-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.72
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 4799477) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID4799477
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3n2CC(C)C)no1
InChIInChI=1S/C17H20N4O2S/c1-11(2)9-21-14-7-5-4-6-13(14)18-17(21)24-10-16(22)19-15-8-12(3)23-20-15/h4-8,11H,9-10H2,1-3H3,(H,19,20,22)
InChIKeyNJVOMFSMFBNZCU-UHFFFAOYSA-N
XLogP3.72
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide (CID 4799477) is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide is Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(C)C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is NJVOMFSMFBNZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(2)9-21-14-7-5-4-6-13(14)18-17(21)24-10-16(22)19-15-8-12(3)23-20-15/h4-8,11H,9-10H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 344.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4799477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).