1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole

C20H20FN3 — CID 10087422

IUPAC1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole
SMILESCCN1CCc2cccc(C(c3ccc(F)cc3)n3ccnc3)c21
InChIInChI=1S/C20H20FN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-9,11,13-14,20H,2,10,12H2,1H3
InChIKeyCDHZWHPOFLCSEF-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.04
Rot. Bonds4

About 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole

1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole (PubChem CID 10087422) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole
PubChem CID10087422
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole
SMILESCCN1CCc2cccc(C(c3ccc(F)cc3)n3ccnc3)c21
InChIInChI=1S/C20H20FN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-9,11,13-14,20H,2,10,12H2,1H3
InChIKeyCDHZWHPOFLCSEF-UHFFFAOYSA-N
XLogP4.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
The IUPAC name of 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole (CID 10087422) is 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole is CCN1CCc2cccc(C(c3ccc(F)cc3)n3ccnc3)c21.
What is the InChIKey of 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
The InChIKey is CDHZWHPOFLCSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-2-23-12-10-15-4-3-5-18(19(15)23)20(24-13-11-22-14-24)16-6-8-17(21)9-7-16/h3-9,11,13-14,20H,2,10,12H2,1H3.
What are the key properties of 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole?
1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole has a molecular weight of 321.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2,3-dihydroindole is sourced from PubChem (CID 10087422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).