4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine

C29H22ClF2N3 — CID 11540343

IUPAC4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine
SMILESCCn1c(C(c2cccc(F)c2)c2cccc(F)c2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C29H22ClF2N3/c1-2-35-28(20-9-11-23(30)12-10-20)27(19-13-15-33-16-14-19)34-29(35)26(21-5-3-7-24(31)17-21)22-6-4-8-25(32)18-22/h3-18,26H,2H2,1H3
InChIKeyOGRNRURIRKLIGC-UHFFFAOYSA-N
MW485.97 g/mol
LogP7.74
Rot. Bonds6

About 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine

4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine (PubChem CID 11540343) has the molecular formula C29H22ClF2N3 and a molecular weight of 485.97 g/mol. Its IUPAC name is 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine
PubChem CID11540343
Molecular FormulaC29H22ClF2N3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC Name4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine
SMILESCCn1c(C(c2cccc(F)c2)c2cccc(F)c2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C29H22ClF2N3/c1-2-35-28(20-9-11-23(30)12-10-20)27(19-13-15-33-16-14-19)34-29(35)26(21-5-3-7-24(31)17-21)22-6-4-8-25(32)18-22/h3-18,26H,2H2,1H3
InChIKeyOGRNRURIRKLIGC-UHFFFAOYSA-N
XLogP7.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine?
The IUPAC name of 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine (CID 11540343) is 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine is CCn1c(C(c2cccc(F)c2)c2cccc(F)c2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine?
The InChIKey is OGRNRURIRKLIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClF2N3/c1-2-35-28(20-9-11-23(30)12-10-20)27(19-13-15-33-16-14-19)34-29(35)26(21-5-3-7-24(31)17-21)22-6-4-8-25(32)18-22/h3-18,26H,2H2,1H3.
What are the key properties of 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine?
4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine has a molecular weight of 485.97 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(3-fluorophenyl)methyl]-5-(4-chlorophenyl)-1-ethylimidazol-4-yl]pyridine is sourced from PubChem (CID 11540343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).