[8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone

C23H18ClF3N2O3 — CID 122398269

IUPAC[8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CC(C(=O)c3ccc(Cl)cc3)=C3NCCN3C2(O)C(F)(F)F)cc1
InChIInChI=1S/C23H18ClF3N2O3/c1-13-2-4-15(5-3-13)20(31)18-12-17(19(30)14-6-8-16(24)9-7-14)21-28-10-11-29(21)22(18,32)23(25,26)27/h2-9,12,28,32H,10-11H2,1H3
InChIKeyHVRSYCGVRRVVMO-UHFFFAOYSA-N
MW462.86 g/mol
LogP4.02
Rot. Bonds4

About [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone

[8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone (PubChem CID 122398269) has the molecular formula C23H18ClF3N2O3 and a molecular weight of 462.86 g/mol. Its IUPAC name is [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone
PubChem CID122398269
Molecular FormulaC23H18ClF3N2O3
Molecular Weight462.86 g/mol
Exact Mass462.10
IUPAC Name[8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CC(C(=O)c3ccc(Cl)cc3)=C3NCCN3C2(O)C(F)(F)F)cc1
InChIInChI=1S/C23H18ClF3N2O3/c1-13-2-4-15(5-3-13)20(31)18-12-17(19(30)14-6-8-16(24)9-7-14)21-28-10-11-29(21)22(18,32)23(25,26)27/h2-9,12,28,32H,10-11H2,1H3
InChIKeyHVRSYCGVRRVVMO-UHFFFAOYSA-N
XLogP4.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone?
The IUPAC name of [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone (CID 122398269) is [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2=CC(C(=O)c3ccc(Cl)cc3)=C3NCCN3C2(O)C(F)(F)F)cc1.
What is the InChIKey of [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone?
The InChIKey is HVRSYCGVRRVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O3/c1-13-2-4-15(5-3-13)20(31)18-12-17(19(30)14-6-8-16(24)9-7-14)21-28-10-11-29(21)22(18,32)23(25,26)27/h2-9,12,28,32H,10-11H2,1H3.
What are the key properties of [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone?
[8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone has a molecular weight of 462.86 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-chlorobenzoyl)-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-6-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 122398269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).