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

C17H18N4O2 — CID 1251849

IUPACN-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1
InChIInChI=1S/C17H18N4O2/c1-12(22)18-13-4-5-16-15(9-13)19-17-11-20(6-7-21(16)17)10-14-3-2-8-23-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,22)
InChIKeyJKXGAFFQJMEKSJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.60
Rot. Bonds3

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

N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide (PubChem CID 1251849) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
PubChem CID1251849
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1
InChIInChI=1S/C17H18N4O2/c1-12(22)18-13-4-5-16-15(9-13)19-17-11-20(6-7-21(16)17)10-14-3-2-8-23-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,22)
InChIKeyJKXGAFFQJMEKSJ-UHFFFAOYSA-N
XLogP2.60
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide (CID 1251849) is N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide is CC(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The InChIKey is JKXGAFFQJMEKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(22)18-13-4-5-16-15(9-13)19-17-11-20(6-7-21(16)17)10-14-3-2-8-23-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,22).
What are the key properties of N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide is sourced from PubChem (CID 1251849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).