1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C15H18FN3O — CID 104943687

IUPAC1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCCOc1ccc(-n2cncc2[C@@H]2CCCN2)cc1F
InChIInChI=1S/C15H18FN3O/c1-2-20-15-6-5-11(8-12(15)16)19-10-17-9-14(19)13-4-3-7-18-13/h5-6,8-10,13,18H,2-4,7H2,1H3/t13-/m0/s1
InChIKeyRPMFTILHLSRHJH-ZDUSSCGKSA-N
MW275.33 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104943687) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104943687
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCCOc1ccc(-n2cncc2[C@@H]2CCCN2)cc1F
InChIInChI=1S/C15H18FN3O/c1-2-20-15-6-5-11(8-12(15)16)19-10-17-9-14(19)13-4-3-7-18-13/h5-6,8-10,13,18H,2-4,7H2,1H3/t13-/m0/s1
InChIKeyRPMFTILHLSRHJH-ZDUSSCGKSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104943687) is 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CCOc1ccc(-n2cncc2[C@@H]2CCCN2)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is RPMFTILHLSRHJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-20-15-6-5-11(8-12(15)16)19-10-17-9-14(19)13-4-3-7-18-13/h5-6,8-10,13,18H,2-4,7H2,1H3/t13-/m0/s1.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 275.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104943687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).