N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide

C21H23N7O — CID 23829449

IUPACN-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)Cn2nnc(-c3ccc4nc(C)[nH]c4c3)n2)cc1
InChIInChI=1S/C21H23N7O/c1-4-13(2)15-5-8-17(9-6-15)24-20(29)12-28-26-21(25-27-28)16-7-10-18-19(11-16)23-14(3)22-18/h5-11,13H,4,12H2,1-3H3,(H,22,23)(H,24,29)
InChIKeyOSGDWXZPHBKQAT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.68
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide

N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide (PubChem CID 23829449) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
PubChem CID23829449
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)Cn2nnc(-c3ccc4nc(C)[nH]c4c3)n2)cc1
InChIInChI=1S/C21H23N7O/c1-4-13(2)15-5-8-17(9-6-15)24-20(29)12-28-26-21(25-27-28)16-7-10-18-19(11-16)23-14(3)22-18/h5-11,13H,4,12H2,1-3H3,(H,22,23)(H,24,29)
InChIKeyOSGDWXZPHBKQAT-UHFFFAOYSA-N
XLogP3.68
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide
CID 23800655
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 90652899
N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 9355936
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489486
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 86963534

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide (CID 23829449) is N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide is CCC(C)c1ccc(NC(=O)Cn2nnc(-c3ccc4nc(C)[nH]c4c3)n2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
The InChIKey is OSGDWXZPHBKQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-4-13(2)15-5-8-17(9-6-15)24-20(29)12-28-26-21(25-27-28)16-7-10-18-19(11-16)23-14(3)22-18/h5-11,13H,4,12H2,1-3H3,(H,22,23)(H,24,29).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide?
N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[5-(2-methyl-3H-benzimidazol-5-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 23829449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).