N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide

C25H24N4O — CID 50749480

IUPACN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
SMILESCc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C25H24N4O/c1-17-7-3-4-8-20(17)25(30)27-22-15-19(12-11-18(22)2)28-13-14-29-23-10-6-5-9-21(23)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyVJCCUQRFLICUMR-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.93
Rot. Bonds3

About N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide

N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide (PubChem CID 50749480) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
PubChem CID50749480
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
SMILESCc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C25H24N4O/c1-17-7-3-4-8-20(17)25(30)27-22-15-19(12-11-18(22)2)28-13-14-29-23-10-6-5-9-21(23)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyVJCCUQRFLICUMR-UHFFFAOYSA-N
XLogP4.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide?
The IUPAC name of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide (CID 50749480) is N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide?
The canonical SMILES for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide is Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1C.
What is the InChIKey of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide?
The InChIKey is VJCCUQRFLICUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17-7-3-4-8-20(17)25(30)27-22-15-19(12-11-18(22)2)28-13-14-29-23-10-6-5-9-21(23)26-24(29)16-28/h3-12,15H,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide?
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide is sourced from PubChem (CID 50749480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).