5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one

C10H6ClN5O — CID 116822901

IUPAC5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3nncnc3Cl)cc2[nH]1
InChIInChI=1S/C10H6ClN5O/c11-9-8(16-13-4-12-9)5-1-2-6-7(3-5)15-10(17)14-6/h1-4H,(H2,14,15,17)
InChIKeyCZJULSRJKJNLDC-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.36
Rot. Bonds1

About 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one

5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116822901) has the molecular formula C10H6ClN5O and a molecular weight of 247.65 g/mol. Its IUPAC name is 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116822901
Molecular FormulaC10H6ClN5O
Molecular Weight247.65 g/mol
Exact Mass247.03
IUPAC Name5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3nncnc3Cl)cc2[nH]1
InChIInChI=1S/C10H6ClN5O/c11-9-8(16-13-4-12-9)5-1-2-6-7(3-5)15-10(17)14-6/h1-4H,(H2,14,15,17)
InChIKeyCZJULSRJKJNLDC-UHFFFAOYSA-N
XLogP1.36
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116823361
5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116892313
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
CID 116904054
5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116879606
5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122667677
5-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 84604711
5-[2-chloro-6-(6-fluoro-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122656702
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116903807
5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 116973198
5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116881411

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one (CID 116822901) is 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3nncnc3Cl)cc2[nH]1.
What is the InChIKey of 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CZJULSRJKJNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O/c11-9-8(16-13-4-12-9)5-1-2-6-7(3-5)15-10(17)14-6/h1-4H,(H2,14,15,17).
What are the key properties of 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 247.65 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116822901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).