3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone

C19H19N3O3 — CID 110867060

IUPAC3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C19H19N3O3/c1-24-14-9-13(10-15(11-14)25-2)19(23)21-7-8-22-17-6-4-3-5-16(17)20-18(22)12-21/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyDAOILHCGTPIPRJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.71
Rot. Bonds3

About 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone

3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone (PubChem CID 110867060) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone
PubChem CID110867060
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C19H19N3O3/c1-24-14-9-13(10-15(11-14)25-2)19(23)21-7-8-22-17-6-4-3-5-16(17)20-18(22)12-21/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyDAOILHCGTPIPRJ-UHFFFAOYSA-N
XLogP2.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3-methoxyphenyl)methanone
CID 110872433
(4-fluorophenyl)-(1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-3-yl)methanone
CID 155902277
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide
CID 3238265
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
(3-methoxyphenyl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53193618
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
3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 5309135
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375501
2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 20866198

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone (CID 110867060) is 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCn3c(nc4ccccc43)C2)c1.
What is the InChIKey of 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone?
The InChIKey is DAOILHCGTPIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-14-9-13(10-15(11-14)25-2)19(23)21-7-8-22-17-6-4-3-5-16(17)20-18(22)12-21/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone?
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 110867060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).