N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H17N7OS — CID 2092239

IUPACN-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2nnnc2SCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H17N7OS/c1-11-7-8-12(2)15(9-11)25-18(22-23-24-25)27-10-16(26)21-17-19-13-5-3-4-6-14(13)20-17/h3-9H,10H2,1-2H3,(H2,19,20,21,26)
InChIKeyQCWADDKQLSBOMN-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.89
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2092239) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2092239
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2nnnc2SCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H17N7OS/c1-11-7-8-12(2)15(9-11)25-18(22-23-24-25)27-10-16(26)21-17-19-13-5-3-4-6-14(13)20-17/h3-9H,10H2,1-2H3,(H2,19,20,21,26)
InChIKeyQCWADDKQLSBOMN-UHFFFAOYSA-N
XLogP2.89
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-enylacetamide
CID 6491312
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide
CID 7877741
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16599531
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 829105
ethyl 2-[[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3195166
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4973936
N-(2,6-dibromo-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2388271
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 7877747
N-[4-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
CID 7877856
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16509717

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2092239) is N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is QCWADDKQLSBOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-11-7-8-12(2)15(9-11)25-18(22-23-24-25)27-10-16(26)21-17-19-13-5-3-4-6-14(13)20-17/h3-9H,10H2,1-2H3,(H2,19,20,21,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 379.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2092239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).