5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one

C9H7N5O — CID 14751659

IUPAC5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3cncn3)cc2[nH]1
InChIInChI=1S/C9H7N5O/c15-9-12-7-2-1-6(3-8(7)13-9)14-5-10-4-11-14/h1-5H,(H2,12,13,15)
InChIKeyWYNDCTJDCNYQPM-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.44
Rot. Bonds1

About 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one

5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 14751659) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID14751659
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-n3cncn3)cc2[nH]1
InChIInChI=1S/C9H7N5O/c15-9-12-7-2-1-6(3-8(7)13-9)14-5-10-4-11-14/h1-5H,(H2,12,13,15)
InChIKeyWYNDCTJDCNYQPM-UHFFFAOYSA-N
XLogP0.44
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one (CID 14751659) is 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-n3cncn3)cc2[nH]1.
What is the InChIKey of 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WYNDCTJDCNYQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c15-9-12-7-2-1-6(3-8(7)13-9)14-5-10-4-11-14/h1-5H,(H2,12,13,15).
What are the key properties of 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one?
5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 201.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 14751659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).