2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C16H12FN7O2 — CID 18171628

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12FN7O2/c17-10-3-1-2-9(6-10)15-21-23-24(22-15)8-14(25)18-11-4-5-12-13(7-11)20-16(26)19-12/h1-7H,8H2,(H,18,25)(H2,19,20,26)
InChIKeyYRTFIYWYTCELEF-UHFFFAOYSA-N
MW353.32 g/mol
LogP1.29
Rot. Bonds4

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 18171628) has the molecular formula C16H12FN7O2 and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID18171628
Molecular FormulaC16H12FN7O2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12FN7O2/c17-10-3-1-2-9(6-10)15-21-23-24(22-15)8-14(25)18-11-4-5-12-13(7-11)20-16(26)19-12/h1-7H,8H2,(H,18,25)(H2,19,20,26)
InChIKeyYRTFIYWYTCELEF-UHFFFAOYSA-N
XLogP1.29
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 18171628) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is YRTFIYWYTCELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7O2/c17-10-3-1-2-9(6-10)15-21-23-24(22-15)8-14(25)18-11-4-5-12-13(7-11)20-16(26)19-12/h1-7H,8H2,(H,18,25)(H2,19,20,26).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 353.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 18171628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).