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

C20H22N4O — CID 2967520

IUPACN-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc1n2CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C20H22N4O/c1-14(16-6-4-3-5-7-16)23-10-11-24-19-9-8-17(21-15(2)25)12-18(19)22-20(24)13-23/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyNAMFTTPTHIIQRM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.57
Rot. Bonds3

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

N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide (PubChem CID 2967520) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
PubChem CID2967520
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc1n2CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C20H22N4O/c1-14(16-6-4-3-5-7-16)23-10-11-24-19-9-8-17(21-15(2)25)12-18(19)22-20(24)13-23/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyNAMFTTPTHIIQRM-UHFFFAOYSA-N
XLogP3.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The IUPAC name of N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide (CID 2967520) is N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide.
What is the SMILES notation for N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The canonical SMILES for N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide is CC(=O)Nc1ccc2c(c1)nc1n2CCN(C(C)c2ccccc2)C1.
What is the InChIKey of N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
The InChIKey is NAMFTTPTHIIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(16-6-4-3-5-7-16)23-10-11-24-19-9-8-17(21-15(2)25)12-18(19)22-20(24)13-23/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide?
N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide is sourced from PubChem (CID 2967520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).