3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

C22H24N4O2 — CID 136553770

IUPAC3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCN5CCOCC5C4)ccc32)c1
InChIInChI=1S/C22H24N4O2/c1-16-3-2-4-18(11-16)26-15-23-20-12-17(5-6-21(20)26)22(27)25-8-7-24-9-10-28-14-19(24)13-25/h2-6,11-12,15,19H,7-10,13-14H2,1H3
InChIKeyYPKXBUSGRXXPDD-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.49
Rot. Bonds2

About 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (PubChem CID 136553770) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
PubChem CID136553770
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCN5CCOCC5C4)ccc32)c1
InChIInChI=1S/C22H24N4O2/c1-16-3-2-4-18(11-16)26-15-23-20-12-17(5-6-21(20)26)22(27)25-8-7-24-9-10-28-14-19(24)13-25/h2-6,11-12,15,19H,7-10,13-14H2,1H3
InChIKeyYPKXBUSGRXXPDD-UHFFFAOYSA-N
XLogP2.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone with MolForge

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Related Compounds

[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553899
[1-(3-methylphenyl)benzimidazol-5-yl]-(5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 167750239
(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840741
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
CID 166375521
[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-[3-(4-methyl-1,4-diazepan-1-yl)azetidin-1-yl]methanone
CID 167868544
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 136553580
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)methanone
CID 136548889
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone
CID 121080190
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The IUPAC name of 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (CID 136553770) is 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The canonical SMILES for 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is Cc1cccc(-n2cnc3cc(C(=O)N4CCN5CCOCC5C4)ccc32)c1.
What is the InChIKey of 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The InChIKey is YPKXBUSGRXXPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-3-2-4-18(11-16)26-15-23-20-12-17(5-6-21(20)26)22(27)25-8-7-24-9-10-28-14-19(24)13-25/h2-6,11-12,15,19H,7-10,13-14H2,1H3.
What are the key properties of 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 136553770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).