4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole

C8H9Cl2FN2 — CID 126847857

IUPAC4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole
SMILESF[C@@H]1CCC[C@H]1n1cnc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2FN2/c9-7-8(10)13(4-12-7)6-3-1-2-5(6)11/h4-6H,1-3H2/t5-,6-/m1/s1
InChIKeyVFLYZUDFALIKHW-PHDIDXHHSA-N
MW223.08 g/mol
LogP3.25
Rot. Bonds1

About 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole

4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole (PubChem CID 126847857) has the molecular formula C8H9Cl2FN2 and a molecular weight of 223.08 g/mol. Its IUPAC name is 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole
PubChem CID126847857
Molecular FormulaC8H9Cl2FN2
Molecular Weight223.08 g/mol
Exact Mass222.01
IUPAC Name4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole
SMILESF[C@@H]1CCC[C@H]1n1cnc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2FN2/c9-7-8(10)13(4-12-7)6-3-1-2-5(6)11/h4-6H,1-3H2/t5-,6-/m1/s1
InChIKeyVFLYZUDFALIKHW-PHDIDXHHSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole?
The IUPAC name of 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole (CID 126847857) is 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole.
What is the SMILES notation for 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole?
The canonical SMILES for 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole is F[C@@H]1CCC[C@H]1n1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole?
The InChIKey is VFLYZUDFALIKHW-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H9Cl2FN2/c9-7-8(10)13(4-12-7)6-3-1-2-5(6)11/h4-6H,1-3H2/t5-,6-/m1/s1.
What are the key properties of 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole?
4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole has a molecular weight of 223.08 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-[(1R,2R)-2-fluorocyclopentyl]imidazole is sourced from PubChem (CID 126847857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).