N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide

C18H20N4O2 — CID 46269140

IUPACN-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide
SMILESCC(C)N1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1
InChIInChI=1S/C18H20N4O2/c1-12(2)21-7-8-22-15-6-5-13(10-14(15)20-17(22)11-21)19-18(23)16-4-3-9-24-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,23)
InChIKeyKNWPWCBGJYIRKW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.11
Rot. Bonds3

About N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide

N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide (PubChem CID 46269140) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide
PubChem CID46269140
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide
SMILESCC(C)N1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1
InChIInChI=1S/C18H20N4O2/c1-12(2)21-7-8-22-15-6-5-13(10-14(15)20-17(22)11-21)19-18(23)16-4-3-9-24-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,23)
InChIKeyKNWPWCBGJYIRKW-UHFFFAOYSA-N
XLogP3.11
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide?
The IUPAC name of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide (CID 46269140) is N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide is CC(C)N1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1.
What is the InChIKey of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide?
The InChIKey is KNWPWCBGJYIRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(2)21-7-8-22-15-6-5-13(10-14(15)20-17(22)11-21)19-18(23)16-4-3-9-24-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,23).
What are the key properties of N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide?
N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide is sourced from PubChem (CID 46269140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).