2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C13H13N7O2S — CID 9439221

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N7O2S/c21-11(6-23-13-17-18-19-20(13)8-2-3-8)14-7-1-4-9-10(5-7)16-12(22)15-9/h1,4-5,8H,2-3,6H2,(H,14,21)(H2,15,16,22)
InChIKeySUMGHCNVCVTCLW-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.91
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 9439221) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID9439221
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N7O2S/c21-11(6-23-13-17-18-19-20(13)8-2-3-8)14-7-1-4-9-10(5-7)16-12(22)15-9/h1,4-5,8H,2-3,6H2,(H,14,21)(H2,15,16,22)
InChIKeySUMGHCNVCVTCLW-UHFFFAOYSA-N
XLogP0.91
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide with MolForge

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204376
N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 43377161
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26388936
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31405406
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18203573
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide
CID 60555012
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46670710

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 9439221) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(CSc1nnnn1C1CC1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is SUMGHCNVCVTCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c21-11(6-23-13-17-18-19-20(13)8-2-3-8)14-7-1-4-9-10(5-7)16-12(22)15-9/h1,4-5,8H,2-3,6H2,(H,14,21)(H2,15,16,22).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 331.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 9439221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).