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

C18H17N3O — CID 110872437

IUPAC1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C18H17N3O/c22-18(12-14-6-2-1-3-7-14)20-10-11-21-16-9-5-4-8-15(16)19-17(21)13-20/h1-9H,10-13H2
InChIKeyFTTMGCNKNIERCM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.62
Rot. Bonds2

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

1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone (PubChem CID 110872437) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
PubChem CID110872437
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C18H17N3O/c22-18(12-14-6-2-1-3-7-14)20-10-11-21-16-9-5-4-8-15(16)19-17(21)13-20/h1-9H,10-13H2
InChIKeyFTTMGCNKNIERCM-UHFFFAOYSA-N
XLogP2.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
CID 110872438
3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one
CID 20866205
N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide
CID 3238265
2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)acetamide
CID 146065629
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone
CID 110867060
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3-methoxyphenyl)methanone
CID 110872433
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 46268807
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 110646911
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
CID 108533382

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone (CID 110872437) is 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCn2c(nc3ccccc32)C1.
What is the InChIKey of 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone?
The InChIKey is FTTMGCNKNIERCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(12-14-6-2-1-3-7-14)20-10-11-21-16-9-5-4-8-15(16)19-17(21)13-20/h1-9H,10-13H2.
What are the key properties of 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone?
1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone has a molecular weight of 291.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone is sourced from PubChem (CID 110872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).