N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide

C25H24N4O — CID 46268807

IUPACN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C25H24N4O/c30-25(15-10-19-6-2-1-3-7-19)26-20-11-13-21(14-12-20)28-16-17-29-23-9-5-4-8-22(23)27-24(29)18-28/h1-9,11-14H,10,15-18H2,(H,26,30)
InChIKeyIAVGQHIFDSGBNL-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.63
Rot. Bonds5

About N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide

N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide (PubChem CID 46268807) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide
PubChem CID46268807
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C25H24N4O/c30-25(15-10-19-6-2-1-3-7-19)26-20-11-13-21(14-12-20)28-16-17-29-23-9-5-4-8-22(23)27-24(29)18-28/h1-9,11-14H,10,15-18H2,(H,26,30)
InChIKeyIAVGQHIFDSGBNL-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 50749431
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 46268794
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 46269005
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-ylmethyl)-4-methoxyphenyl]-3-phenylpropanamide
CID 50750458
1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
CID 46268832
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 29131410
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 50749429
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 46268849
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 50750414
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 29133413
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide (CID 46268807) is N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
The InChIKey is IAVGQHIFDSGBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-25(15-10-19-6-2-1-3-7-19)26-20-11-13-21(14-12-20)28-16-17-29-23-9-5-4-8-22(23)27-24(29)18-28/h1-9,11-14H,10,15-18H2,(H,26,30).
What are the key properties of N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide?
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide has a molecular weight of 396.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 46268807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).