N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide

C18H21N4O3+ — CID 7006160

IUPACN-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide
SMILESCOCC[NH+]1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1
InChIInChI=1S/C18H20N4O3/c1-24-10-8-21-6-7-22-15-5-4-13(11-14(15)20-17(22)12-21)19-18(23)16-3-2-9-25-16/h2-5,9,11H,6-8,10,12H2,1H3,(H,19,23)/p+1
InChIKeyNUMBUNCVEBXYJA-UHFFFAOYSA-O
MW341.39 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide

N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide (PubChem CID 7006160) has the molecular formula C18H21N4O3+ and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide
PubChem CID7006160
Molecular FormulaC18H21N4O3+
Molecular Weight341.39 g/mol
Exact Mass341.16
IUPAC NameN-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide
SMILESCOCC[NH+]1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1
InChIInChI=1S/C18H20N4O3/c1-24-10-8-21-6-7-22-15-5-4-13(11-14(15)20-17(22)12-21)19-18(23)16-3-2-9-25-16/h2-5,9,11H,6-8,10,12H2,1H3,(H,19,23)/p+1
InChIKeyNUMBUNCVEBXYJA-UHFFFAOYSA-O
XLogP0.93
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]methanesulfonamide
CID 7555857
N-[2-(furan-2-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]butanamide
CID 7005817
N-(2-cyclohexyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide
CID 666129
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 29131410
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 7032662
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 4897177

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide (CID 7006160) is N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide is COCC[NH+]1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1.
What is the InChIKey of N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide?
The InChIKey is NUMBUNCVEBXYJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20N4O3/c1-24-10-8-21-6-7-22-15-5-4-13(11-14(15)20-17(22)12-21)19-18(23)16-3-2-9-25-16/h2-5,9,11H,6-8,10,12H2,1H3,(H,19,23)/p+1.
What are the key properties of N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide?
N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]furan-2-carboxamide is sourced from PubChem (CID 7006160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).