3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one

C10H8N6O — CID 10846951

IUPAC3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(-n2ncnn2)cc1
InChIInChI=1S/C10H8N6O/c17-10-11-5-6-15(10)8-1-3-9(4-2-8)16-13-7-12-14-16/h1-7H,(H,11,17)
InChIKeyXNDKSMRARKFAFN-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.14
Rot. Bonds2

About 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one

3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one (PubChem CID 10846951) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one
PubChem CID10846951
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(-n2ncnn2)cc1
InChIInChI=1S/C10H8N6O/c17-10-11-5-6-15(10)8-1-3-9(4-2-8)16-13-7-12-14-16/h1-7H,(H,11,17)
InChIKeyXNDKSMRARKFAFN-UHFFFAOYSA-N
XLogP0.14
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one (CID 10846951) is 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(-n2ncnn2)cc1.
What is the InChIKey of 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one?
The InChIKey is XNDKSMRARKFAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c17-10-11-5-6-15(10)8-1-3-9(4-2-8)16-13-7-12-14-16/h1-7H,(H,11,17).
What are the key properties of 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one?
3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one has a molecular weight of 228.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tetrazol-2-yl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 10846951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).