5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C28H26F3N3O2 — CID 22674571

IUPAC5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(OC(F)(F)F)cc1CN1Cc2nccn2C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H26F3N3O2/c1-35-25-13-12-23(36-28(29,30)31)16-22(25)17-33-18-24(34-15-14-32-26(34)19-33)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16,24,27H,17-19H2,1H3
InChIKeyAUMNSUCXEBOMNE-UHFFFAOYSA-N
MW493.53 g/mol
LogP6.18
Rot. Bonds7

About 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 22674571) has the molecular formula C28H26F3N3O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID22674571
Molecular FormulaC28H26F3N3O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Name5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(OC(F)(F)F)cc1CN1Cc2nccn2C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H26F3N3O2/c1-35-25-13-12-23(36-28(29,30)31)16-22(25)17-33-18-24(34-15-14-32-26(34)19-33)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16,24,27H,17-19H2,1H3
InChIKeyAUMNSUCXEBOMNE-UHFFFAOYSA-N
XLogP6.18
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 22674571) is 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1ccc(OC(F)(F)F)cc1CN1Cc2nccn2C(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is AUMNSUCXEBOMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O2/c1-35-25-13-12-23(36-28(29,30)31)16-22(25)17-33-18-24(34-15-14-32-26(34)19-33)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16,24,27H,17-19H2,1H3.
What are the key properties of 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 493.53 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-7-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 22674571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).