N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C18H17N7O2S — CID 2980141

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21
InChIInChI=1S/C18H17N7O2S/c1-23-14-9-8-12(10-15(14)24(2)18(23)27)19-16(26)11-28-17-20-21-22-25(17)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,26)
InChIKeyLPKLRRCSKVAGMS-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.58
Rot. Bonds5

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2980141) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2980141
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21
InChIInChI=1S/C18H17N7O2S/c1-23-14-9-8-12(10-15(14)24(2)18(23)27)19-16(26)11-28-17-20-21-22-25(17)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,26)
InChIKeyLPKLRRCSKVAGMS-UHFFFAOYSA-N
XLogP1.58
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
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CID 4898224
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 718065
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3634558
N-[3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]phenyl]propanamide
CID 1455218
N-[3-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
CID 3195200
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2570978
N-(1-acetylindolin-5-yl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamide
CID 1277309
N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 2226333
N-[4-(dimethylamino)phenyl]-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175664
2-[1-[4-(diethylamino)phenyl]tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275063
N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449827

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2980141) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is Cn1c(=O)n(C)c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LPKLRRCSKVAGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-23-14-9-8-12(10-15(14)24(2)18(23)27)19-16(26)11-28-17-20-21-22-25(17)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,26).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 395.45 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2980141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).