5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole

C30H24ClFN2 — CID 71049713

IUPAC5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole
SMILESCC(c1cccc(Cl)c1F)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24ClFN2/c1-22(26-18-11-19-27(31)29(26)32)28-20-33-21-34(28)30(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-22H,1H3
InChIKeyBZLLXZHFQVLWJL-UHFFFAOYSA-N
MW466.99 g/mol
LogP7.67
Rot. Bonds6

About 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole

5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole (PubChem CID 71049713) has the molecular formula C30H24ClFN2 and a molecular weight of 466.99 g/mol. Its IUPAC name is 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole.

Molecular Properties

Compound Name5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole
PubChem CID71049713
Molecular FormulaC30H24ClFN2
Molecular Weight466.99 g/mol
Exact Mass466.16
IUPAC Name5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole
SMILESCC(c1cccc(Cl)c1F)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24ClFN2/c1-22(26-18-11-19-27(31)29(26)32)28-20-33-21-34(28)30(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-22H,1H3
InChIKeyBZLLXZHFQVLWJL-UHFFFAOYSA-N
XLogP7.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 114704013
(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
CID 114197501
1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 81262481
1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
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[(3-chloro-2-fluorophenyl)-phenylmethyl]hydrazine
CID 105223236

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole?
The IUPAC name of 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole (CID 71049713) is 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole.
What is the SMILES notation for 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole?
The canonical SMILES for 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole is CC(c1cccc(Cl)c1F)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole?
The InChIKey is BZLLXZHFQVLWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClFN2/c1-22(26-18-11-19-27(31)29(26)32)28-20-33-21-34(28)30(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-22H,1H3.
What are the key properties of 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole?
5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole has a molecular weight of 466.99 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-2-fluorophenyl)ethyl]-1-tritylimidazole is sourced from PubChem (CID 71049713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).