N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide

C24H21ClN4O2 — CID 50750414

IUPACN-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1
InChIInChI=1S/C24H21ClN4O2/c25-17-6-11-22-21(14-17)27-23-15-28(12-13-29(22)23)19-9-7-18(8-10-19)26-24(30)16-31-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,26,30)
InChIKeyPSGJARQTZJEOFF-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide

N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide (PubChem CID 50750414) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
PubChem CID50750414
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1
InChIInChI=1S/C24H21ClN4O2/c25-17-6-11-22-21(14-17)27-23-15-28(12-13-29(22)23)19-9-7-18(8-10-19)26-24(30)16-31-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,26,30)
InChIKeyPSGJARQTZJEOFF-UHFFFAOYSA-N
XLogP4.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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]-2-(2-methoxyphenoxy)acetamide
CID 50749798
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide
CID 666223
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 46269005
2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
CID 50750469
2-(4-nitrophenoxy)-N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 4897337
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
2-(4-chlorophenoxy)-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 1056071
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 26052735
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 17335308
2-(4-methoxyphenoxy)-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889961

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide (CID 50750414) is N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1.
What is the InChIKey of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is PSGJARQTZJEOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-17-6-11-22-21(14-17)27-23-15-28(12-13-29(22)23)19-9-7-18(8-10-19)26-24(30)16-31-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,26,30).
What are the key properties of N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide?
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 432.91 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 50750414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).