5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one

C12H9ClN4O — CID 3021486

IUPAC5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cnccn2)c2cc(Cl)ccc21
InChIInChI=1S/C12H9ClN4O/c1-16-9-3-2-8(13)6-10(9)17(12(16)18)11-7-14-4-5-15-11/h2-7H,1H3
InChIKeyLVBAEIRVJPVKQY-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.77
Rot. Bonds1

About 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one

5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one (PubChem CID 3021486) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one
PubChem CID3021486
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2cnccn2)c2cc(Cl)ccc21
InChIInChI=1S/C12H9ClN4O/c1-16-9-3-2-8(13)6-10(9)17(12(16)18)11-7-14-4-5-15-11/h2-7H,1H3
InChIKeyLVBAEIRVJPVKQY-UHFFFAOYSA-N
XLogP1.77
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one?
The IUPAC name of 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one (CID 3021486) is 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one is Cn1c(=O)n(-c2cnccn2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one?
The InChIKey is LVBAEIRVJPVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-16-9-3-2-8(13)6-10(9)17(12(16)18)11-7-14-4-5-15-11/h2-7H,1H3.
What are the key properties of 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one?
5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one has a molecular weight of 260.68 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one is sourced from PubChem (CID 3021486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).