(8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C20H22ClN3O — CID 75368581

IUPAC(8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESC1CN2[C@H](CN1CC3=CC=CC=C3Cl)CN(C2=O)CC4=CC=CC=C4
InChIInChI=1S/C20H22ClN3O/c21-19-9-5-4-8-17(19)13-22-10-11-24-18(14-22)15-23(20(24)25)12-16-6-2-1-3-7-16/h1-9,18H,10-15H2/t18-/m1/s1
InChIKeyWEGHGSVERYHSCG-GOSISDBHSA-N
MW355.90 g/mol
LogP3.00
Rot. Bonds4

About (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368581) has the molecular formula C20H22ClN3O and a molecular weight of 355.90 g/mol. Its IUPAC name is (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368581
Molecular FormulaC20H22ClN3O
Molecular Weight355.90 g/mol
Exact Mass355.15
IUPAC Name(8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESC1CN2[C@H](CN1CC3=CC=CC=C3Cl)CN(C2=O)CC4=CC=CC=C4
InChIInChI=1S/C20H22ClN3O/c21-19-9-5-4-8-17(19)13-22-10-11-24-18(14-22)15-23(20(24)25)12-16-6-2-1-3-7-16/h1-9,18H,10-15H2/t18-/m1/s1
InChIKeyWEGHGSVERYHSCG-GOSISDBHSA-N
XLogP3.00
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity468

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.90
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368581) is (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is C1CN2[C@H](CN1CC3=CC=CC=C3Cl)CN(C2=O)CC4=CC=CC=C4.
What is the InChIKey of (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is WEGHGSVERYHSCG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-19-9-5-4-8-17(19)13-22-10-11-24-18(14-22)15-23(20(24)25)12-16-6-2-1-3-7-16/h1-9,18H,10-15H2/t18-/m1/s1.
What are the key properties of (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 355.90 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-benzyl-7-[(2-chlorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).