3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one

C11H11N5O — CID 142626448

IUPAC3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(N2C=NCN2)cc1
InChIInChI=1S/C11H11N5O/c17-11-13-5-6-15(11)9-1-3-10(4-2-9)16-8-12-7-14-16/h1-6,8,14H,7H2,(H,13,17)
InChIKeyJCEYMZSHUUSQEE-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.48
Rot. Bonds2

About 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one

3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one (PubChem CID 142626448) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one
PubChem CID142626448
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(N2C=NCN2)cc1
InChIInChI=1S/C11H11N5O/c17-11-13-5-6-15(11)9-1-3-10(4-2-9)16-8-12-7-14-16/h1-6,8,14H,7H2,(H,13,17)
InChIKeyJCEYMZSHUUSQEE-UHFFFAOYSA-N
XLogP0.48
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one (CID 142626448) is 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(N2C=NCN2)cc1.
What is the InChIKey of 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one?
The InChIKey is JCEYMZSHUUSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c17-11-13-5-6-15(11)9-1-3-10(4-2-9)16-8-12-7-14-16/h1-6,8,14H,7H2,(H,13,17).
What are the key properties of 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one?
3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one has a molecular weight of 229.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,5-dihydro-1,2,4-triazol-2-yl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 142626448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).