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

C11H8ClN5O — CID 116823361

IUPAC5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1nnc(-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)n1
InChIInChI=1S/C11H8ClN5O/c1-5-13-10(12)9(17-16-5)6-2-3-7-8(4-6)15-11(18)14-7/h2-4H,1H3,(H2,14,15,18)
InChIKeyLAOGTSCWMOUWAP-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.67
Rot. Bonds1

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

5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116823361) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116823361
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1nnc(-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)n1
InChIInChI=1S/C11H8ClN5O/c1-5-13-10(12)9(17-16-5)6-2-3-7-8(4-6)15-11(18)14-7/h2-4H,1H3,(H2,14,15,18)
InChIKeyLAOGTSCWMOUWAP-UHFFFAOYSA-N
XLogP1.67
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116822901
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316
5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116892313
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
4-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 115003475
5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one
CID 89060824
ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one (CID 116823361) is 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one is Cc1nnc(-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)n1.
What is the InChIKey of 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LAOGTSCWMOUWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c1-5-13-10(12)9(17-16-5)6-2-3-7-8(4-6)15-11(18)14-7/h2-4H,1H3,(H2,14,15,18).
What are the key properties of 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one?
5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.67 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116823361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).