N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide

C19H19N7O — CID 23800655

IUPACN-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnc(-c3ccc4nc(C)[nH]c4c3)n2)c1
InChIInChI=1S/C19H19N7O/c1-11-6-12(2)8-15(7-11)22-18(27)10-26-24-19(23-25-26)14-4-5-16-17(9-14)21-13(3)20-16/h4-9H,10H2,1-3H3,(H,20,21)(H,22,27)
InChIKeyJNAAGIKLUXTRDE-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.78
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide

N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide (PubChem CID 23800655) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
PubChem CID23800655
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnc(-c3ccc4nc(C)[nH]c4c3)n2)c1
InChIInChI=1S/C19H19N7O/c1-11-6-12(2)8-15(7-11)22-18(27)10-26-24-19(23-25-26)14-4-5-16-17(9-14)21-13(3)20-16/h4-9H,10H2,1-3H3,(H,20,21)(H,22,27)
InChIKeyJNAAGIKLUXTRDE-UHFFFAOYSA-N
XLogP2.78
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
CID 23829449
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 90652899
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3153108
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide (CID 23800655) is N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccc4nc(C)[nH]c4c3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
The InChIKey is JNAAGIKLUXTRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-11-6-12(2)8-15(7-11)22-18(27)10-26-24-19(23-25-26)14-4-5-16-17(9-14)21-13(3)20-16/h4-9H,10H2,1-3H3,(H,20,21)(H,22,27).
What are the key properties of N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 23800655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).