N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C16H13N7O2S — CID 2226333

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H13N7O2S/c24-14(17-10-6-7-12-13(8-10)19-15(25)18-12)9-26-16-20-21-22-23(16)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,24)(H2,18,19,25)
InChIKeyLIHZKZVGSUQBQU-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.56
Rot. Bonds5

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2226333) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2226333
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H13N7O2S/c24-14(17-10-6-7-12-13(8-10)19-15(25)18-12)9-26-16-20-21-22-23(16)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,24)(H2,18,19,25)
InChIKeyLIHZKZVGSUQBQU-UHFFFAOYSA-N
XLogP1.56
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
N-(4-Acetylamino-phenyl)-2-[1-(2-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1078051
N-phenyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propanamide
CID 16554607
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2570978
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1455243
N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449827
N-phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propanamide
CID 4560201
N-[3-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 1175654
N-(4-acetamidophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449780
N-(3-acetamidophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449781
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 1455241

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2226333) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LIHZKZVGSUQBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c24-14(17-10-6-7-12-13(8-10)19-15(25)18-12)9-26-16-20-21-22-23(16)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,24)(H2,18,19,25).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 367.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2226333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).