[4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C20H18N6O — CID 136524692

IUPAC[4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)c1ccc(-n3cnc4ccccc43)cc1)C2
InChIInChI=1S/C20H18N6O/c1-14-22-23-19-12-24(10-11-25(14)19)20(27)15-6-8-16(9-7-15)26-13-21-17-4-2-3-5-18(17)26/h2-9,13H,10-12H2,1H3
InChIKeySOQNGYVXLDWOSP-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.58
Rot. Bonds2

About [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

[4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 136524692) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID136524692
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)c1ccc(-n3cnc4ccccc43)cc1)C2
InChIInChI=1S/C20H18N6O/c1-14-22-23-19-12-24(10-11-25(14)19)20(27)15-6-8-16(9-7-15)26-13-21-17-4-2-3-5-18(17)26/h2-9,13H,10-12H2,1H3
InChIKeySOQNGYVXLDWOSP-UHFFFAOYSA-N
XLogP2.58
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 136524692) is [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1nnc2n1CCN(C(=O)c1ccc(-n3cnc4ccccc43)cc1)C2.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is SOQNGYVXLDWOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-14-22-23-19-12-24(10-11-25(14)19)20(27)15-6-8-16(9-7-15)26-13-21-17-4-2-3-5-18(17)26/h2-9,13H,10-12H2,1H3.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 358.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 136524692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).