1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole

C20H18FN3 — CID 10087312

IUPAC1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole
SMILESCCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc21
InChIInChI=1S/C20H18FN3/c1-2-23-13-18(17-5-3-4-6-19(17)23)20(24-12-11-22-14-24)15-7-9-16(21)10-8-15/h3-14,20H,2H2,1H3
InChIKeyRHABPMUKMVYRLG-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.63
Rot. Bonds4

About 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole

1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole (PubChem CID 10087312) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole.

Molecular Properties

Compound Name1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole
PubChem CID10087312
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC Name1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole
SMILESCCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc21
InChIInChI=1S/C20H18FN3/c1-2-23-13-18(17-5-3-4-6-19(17)23)20(24-12-11-22-14-24)15-7-9-16(21)10-8-15/h3-14,20H,2H2,1H3
InChIKeyRHABPMUKMVYRLG-UHFFFAOYSA-N
XLogP4.63
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
The IUPAC name of 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole (CID 10087312) is 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole.
What is the SMILES notation for 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
The canonical SMILES for 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole is CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
The InChIKey is RHABPMUKMVYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c1-2-23-13-18(17-5-3-4-6-19(17)23)20(24-12-11-22-14-24)15-7-9-16(21)10-8-15/h3-14,20H,2H2,1H3.
What are the key properties of 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole has a molecular weight of 319.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole is sourced from PubChem (CID 10087312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).