8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C23H18ClF3N2 — CID 51360733

IUPAC8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1
InChIInChI=1S/C23H18ClF3N2/c1-14-3-7-16(8-4-14)11-20-21(17-9-5-15(2)6-10-17)28-22-19(24)12-18(13-29(20)22)23(25,26)27/h3-10,12-13H,11H2,1-2H3
InChIKeyDOQFBPDUMHRIFR-UHFFFAOYSA-N
MW414.86 g/mol
LogP6.88
Rot. Bonds3

About 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 51360733) has the molecular formula C23H18ClF3N2 and a molecular weight of 414.86 g/mol. Its IUPAC name is 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID51360733
Molecular FormulaC23H18ClF3N2
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC Name8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1
InChIInChI=1S/C23H18ClF3N2/c1-14-3-7-16(8-4-14)11-20-21(17-9-5-15(2)6-10-17)28-22-19(24)12-18(13-29(20)22)23(25,26)27/h3-10,12-13H,11H2,1-2H3
InChIKeyDOQFBPDUMHRIFR-UHFFFAOYSA-N
XLogP6.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.86
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 51360733) is 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1.
What is the InChIKey of 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is DOQFBPDUMHRIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2/c1-14-3-7-16(8-4-14)11-20-21(17-9-5-15(2)6-10-17)28-22-19(24)12-18(13-29(20)22)23(25,26)27/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 414.86 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).