2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide

C13H12N4O2S — CID 17424889

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
SMILESCn1c(SCC(=O)Nc2ccon2)nc2ccccc21
InChIInChI=1S/C13H12N4O2S/c1-17-10-5-3-2-4-9(10)14-13(17)20-8-12(18)15-11-6-7-19-16-11/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyYOWIPFMRCBOYDY-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.29
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide

2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 17424889) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
PubChem CID17424889
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
SMILESCn1c(SCC(=O)Nc2ccon2)nc2ccccc21
InChIInChI=1S/C13H12N4O2S/c1-17-10-5-3-2-4-9(10)14-13(17)20-8-12(18)15-11-6-7-19-16-11/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyYOWIPFMRCBOYDY-UHFFFAOYSA-N
XLogP2.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4320150
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 17463924
methyl 2-[2-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 16602112
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
propan-2-yl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 601320
N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 687569
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5344429
N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide
CID 7005933
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17405689
N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide (CID 17424889) is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide is Cn1c(SCC(=O)Nc2ccon2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is YOWIPFMRCBOYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-17-10-5-3-2-4-9(10)14-13(17)20-8-12(18)15-11-6-7-19-16-11/h2-7H,8H2,1H3,(H,15,16,18).
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 288.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 17424889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).