5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one

C13H10N4O2 — CID 116832745

IUPAC5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1cnccn1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H10N4O2/c18-12(6-9-7-14-3-4-15-9)8-1-2-10-11(5-8)17-13(19)16-10/h1-5,7H,6H2,(H2,16,17,19)
InChIKeyYJNZPEGWOQBORI-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.07
Rot. Bonds3

About 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one

5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116832745) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116832745
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1cnccn1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H10N4O2/c18-12(6-9-7-14-3-4-15-9)8-1-2-10-11(5-8)17-13(19)16-10/h1-5,7H,6H2,(H2,16,17,19)
InChIKeyYJNZPEGWOQBORI-UHFFFAOYSA-N
XLogP1.07
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfanylphenyl)-2-pyrazin-2-ylethanone
CID 116832739
5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
CID 43338651
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
2-pyrazin-2-yl-1-pyridin-2-ylethanone
CID 3739313
1-(2-methyl-1H-indol-3-yl)-2-pyrazin-2-ylethanone
CID 116832726
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
2-pyrazin-2-ylacetic acid
CID 19797048
6-(2-pyridin-3-ylacetyl)-1H-quinolin-2-one
CID 19854669
5-(2-pyrimidin-4-ylacetyl)-3H-1,3-benzoxazol-2-one
CID 116832856
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-(2-amino-1-pyrazin-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116833767

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one (CID 116832745) is 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one is O=C(Cc1cnccn1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YJNZPEGWOQBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-12(6-9-7-14-3-4-15-9)8-1-2-10-11(5-8)17-13(19)16-10/h1-5,7H,6H2,(H2,16,17,19).
What are the key properties of 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 254.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazin-2-ylacetyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116832745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).