N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide

C17H24N4O2 — CID 4905097

IUPACN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc1n2CCN(CCOC)C1
InChIInChI=1S/C17H24N4O2/c1-3-4-17(22)18-13-5-6-15-14(11-13)19-16-12-20(9-10-23-2)7-8-21(15)16/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,22)
InChIKeyBVIZLXODZFQSIE-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide

N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide (PubChem CID 4905097) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide
PubChem CID4905097
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc1n2CCN(CCOC)C1
InChIInChI=1S/C17H24N4O2/c1-3-4-17(22)18-13-5-6-15-14(11-13)19-16-12-20(9-10-23-2)7-8-21(15)16/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,22)
InChIKeyBVIZLXODZFQSIE-UHFFFAOYSA-N
XLogP2.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide?
The IUPAC name of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide (CID 4905097) is N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide?
The canonical SMILES for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc1n2CCN(CCOC)C1.
What is the InChIKey of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide?
The InChIKey is BVIZLXODZFQSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-4-17(22)18-13-5-6-15-14(11-13)19-16-12-20(9-10-23-2)7-8-21(15)16/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide?
N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide has a molecular weight of 316.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]butanamide is sourced from PubChem (CID 4905097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).