(2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone

C18H14ClFN2O — CID 21497404

IUPAC(2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone
SMILESCCc1cncn1-c1ccc(F)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O/c1-2-13-10-21-11-22(13)17-8-7-12(20)9-15(17)18(23)14-5-3-4-6-16(14)19/h3-11H,2H2,1H3
InChIKeyPVMRSLODMXLOPV-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.46
Rot. Bonds4

About (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone

(2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone (PubChem CID 21497404) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone
PubChem CID21497404
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name(2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone
SMILESCCc1cncn1-c1ccc(F)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O/c1-2-13-10-21-11-22(13)17-8-7-12(20)9-15(17)18(23)14-5-3-4-6-16(14)19/h3-11H,2H2,1H3
InChIKeyPVMRSLODMXLOPV-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone (CID 21497404) is (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone is CCc1cncn1-c1ccc(F)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone?
The InChIKey is PVMRSLODMXLOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-2-13-10-21-11-22(13)17-8-7-12(20)9-15(17)18(23)14-5-3-4-6-16(14)19/h3-11H,2H2,1H3.
What are the key properties of (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone?
(2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone has a molecular weight of 328.77 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(5-ethylimidazol-1-yl)-5-fluorophenyl]methanone is sourced from PubChem (CID 21497404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).