(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C19H26N4 — CID 176910052

IUPAC(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCCN1CCn2c(nc3cc(C4=NC[C@@H](C)CC4)ccc32)[C@@H]1C
InChIInChI=1S/C19H26N4/c1-4-22-9-10-23-18-8-6-15(16-7-5-13(2)12-20-16)11-17(18)21-19(23)14(22)3/h6,8,11,13-14H,4-5,7,9-10,12H2,1-3H3/t13-,14-/m0/s1
InChIKeyYNKLMFVBUJLWNE-KBPBESRZSA-N
MW310.45 g/mol
LogP3.65
Rot. Bonds2

About (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 176910052) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID176910052
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESCCN1CCn2c(nc3cc(C4=NC[C@@H](C)CC4)ccc32)[C@@H]1C
InChIInChI=1S/C19H26N4/c1-4-22-9-10-23-18-8-6-15(16-7-5-13(2)12-20-16)11-17(18)21-19(23)14(22)3/h6,8,11,13-14H,4-5,7,9-10,12H2,1-3H3/t13-,14-/m0/s1
InChIKeyYNKLMFVBUJLWNE-KBPBESRZSA-N
XLogP3.65
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 176910052) is (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is CCN1CCn2c(nc3cc(C4=NC[C@@H](C)CC4)ccc32)[C@@H]1C.
What is the InChIKey of (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is YNKLMFVBUJLWNE-KBPBESRZSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-22-9-10-23-18-8-6-15(16-7-5-13(2)12-20-16)11-17(18)21-19(23)14(22)3/h6,8,11,13-14H,4-5,7,9-10,12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 310.45 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 176910052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).