N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide

C17H15FN4O — CID 3238265

IUPACN-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C17H15FN4O/c18-12-5-7-13(8-6-12)19-17(23)21-9-10-22-15-4-2-1-3-14(15)20-16(22)11-21/h1-8H,9-11H2,(H,19,23)
InChIKeyIDDUHXVENFPNOI-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.22
Rot. Bonds1

About N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide

N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide (PubChem CID 3238265) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide
PubChem CID3238265
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C17H15FN4O/c18-12-5-7-13(8-6-12)19-17(23)21-9-10-22-15-4-2-1-3-14(15)20-16(22)11-21/h1-8H,9-11H2,(H,19,23)
InChIKeyIDDUHXVENFPNOI-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide (CID 3238265) is N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide is O=C(Nc1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1.
What is the InChIKey of N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is IDDUHXVENFPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-12-5-7-13(8-6-12)19-17(23)21-9-10-22-15-4-2-1-3-14(15)20-16(22)11-21/h1-8H,9-11H2,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide?
N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 3238265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).