N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

C19H17BrN4O2 — CID 71842651

IUPACN-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCCN1CCn2c(nc3cc(C(=O)Nc4cccc(Br)c4)ccc32)C1=O
InChIInChI=1S/C19H17BrN4O2/c1-2-23-8-9-24-16-7-6-12(10-15(16)22-17(24)19(23)26)18(25)21-14-5-3-4-13(20)11-14/h3-7,10-11H,2,8-9H2,1H3,(H,21,25)
InChIKeyZBGQNDMXGGODAB-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.53
Rot. Bonds3

About N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 71842651) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID71842651
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC NameN-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCCN1CCn2c(nc3cc(C(=O)Nc4cccc(Br)c4)ccc32)C1=O
InChIInChI=1S/C19H17BrN4O2/c1-2-23-8-9-24-16-7-6-12(10-15(16)22-17(24)19(23)26)18(25)21-14-5-3-4-13(20)11-14/h3-7,10-11H,2,8-9H2,1H3,(H,21,25)
InChIKeyZBGQNDMXGGODAB-UHFFFAOYSA-N
XLogP3.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 71842651) is N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is CCN1CCn2c(nc3cc(C(=O)Nc4cccc(Br)c4)ccc32)C1=O.
What is the InChIKey of N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is ZBGQNDMXGGODAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-2-23-8-9-24-16-7-6-12(10-15(16)22-17(24)19(23)26)18(25)21-14-5-3-4-13(20)11-14/h3-7,10-11H,2,8-9H2,1H3,(H,21,25).
What are the key properties of N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 413.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-ethyl-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 71842651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).