1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole

C18H16ClFN2 — CID 149159721

IUPAC1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole
SMILESCCc1cncn1-c1cc(F)ccc1Cc1ccccc1Cl
InChIInChI=1S/C18H16ClFN2/c1-2-16-11-21-12-22(16)18-10-15(20)8-7-14(18)9-13-5-3-4-6-17(13)19/h3-8,10-12H,2,9H2,1H3
InChIKeyAKLYHHXNYGKIMQ-UHFFFAOYSA-N
MW314.79 g/mol
LogP4.82
Rot. Bonds4

About 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole

1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole (PubChem CID 149159721) has the molecular formula C18H16ClFN2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole
PubChem CID149159721
Molecular FormulaC18H16ClFN2
Molecular Weight314.79 g/mol
Exact Mass314.10
IUPAC Name1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole
SMILESCCc1cncn1-c1cc(F)ccc1Cc1ccccc1Cl
InChIInChI=1S/C18H16ClFN2/c1-2-16-11-21-12-22(16)18-10-15(20)8-7-14(18)9-13-5-3-4-6-17(13)19/h3-8,10-12H,2,9H2,1H3
InChIKeyAKLYHHXNYGKIMQ-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole (CID 149159721) is 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole is CCc1cncn1-c1cc(F)ccc1Cc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole?
The InChIKey is AKLYHHXNYGKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2/c1-2-16-11-21-12-22(16)18-10-15(20)8-7-14(18)9-13-5-3-4-6-17(13)19/h3-8,10-12H,2,9H2,1H3.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole?
1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole has a molecular weight of 314.79 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole is sourced from PubChem (CID 149159721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).