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

C20H17BrFN3 — CID 10046399

IUPAC5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole
SMILESCCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21
InChIInChI=1S/C20H17BrFN3/c1-2-24-12-18(17-11-15(21)5-8-19(17)24)20(25-10-9-23-13-25)14-3-6-16(22)7-4-14/h3-13,20H,2H2,1H3
InChIKeyLUWGVOJFHFMVCW-UHFFFAOYSA-N
MW398.28 g/mol
LogP5.40
Rot. Bonds4

About 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole

5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole (PubChem CID 10046399) has the molecular formula C20H17BrFN3 and a molecular weight of 398.28 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole
PubChem CID10046399
Molecular FormulaC20H17BrFN3
Molecular Weight398.28 g/mol
Exact Mass397.06
IUPAC Name5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole
SMILESCCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21
InChIInChI=1S/C20H17BrFN3/c1-2-24-12-18(17-11-15(21)5-8-19(17)24)20(25-10-9-23-13-25)14-3-6-16(22)7-4-14/h3-13,20H,2H2,1H3
InChIKeyLUWGVOJFHFMVCW-UHFFFAOYSA-N
XLogP5.40
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.28
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
The IUPAC name of 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole (CID 10046399) is 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole.
What is the SMILES notation for 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
The canonical SMILES for 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole is CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
The InChIKey is LUWGVOJFHFMVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3/c1-2-24-12-18(17-11-15(21)5-8-19(17)24)20(25-10-9-23-13-25)14-3-6-16(22)7-4-14/h3-13,20H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole?
5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole has a molecular weight of 398.28 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]indole is sourced from PubChem (CID 10046399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).