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

C19H15BrFN3 — CID 10000064

IUPAC5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole
SMILESCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21
InChIInChI=1S/C19H15BrFN3/c1-23-11-17(16-10-14(20)4-7-18(16)23)19(24-9-8-22-12-24)13-2-5-15(21)6-3-13/h2-12,19H,1H3
InChIKeyUAPZRTARLLMWAH-UHFFFAOYSA-N
MW384.25 g/mol
LogP4.91
Rot. Bonds3

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

5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole (PubChem CID 10000064) has the molecular formula C19H15BrFN3 and a molecular weight of 384.25 g/mol. Its IUPAC name is 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole.

Molecular Properties

Compound Name5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole
PubChem CID10000064
Molecular FormulaC19H15BrFN3
Molecular Weight384.25 g/mol
Exact Mass383.04
IUPAC Name5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole
SMILESCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21
InChIInChI=1S/C19H15BrFN3/c1-23-11-17(16-10-14(20)4-7-18(16)23)19(24-9-8-22-12-24)13-2-5-15(21)6-3-13/h2-12,19H,1H3
InChIKeyUAPZRTARLLMWAH-UHFFFAOYSA-N
XLogP4.91
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole?
The IUPAC name of 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole (CID 10000064) is 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole.
What is the SMILES notation for 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole?
The canonical SMILES for 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole is Cn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole?
The InChIKey is UAPZRTARLLMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3/c1-23-11-17(16-10-14(20)4-7-18(16)23)19(24-9-8-22-12-24)13-2-5-15(21)6-3-13/h2-12,19H,1H3.
What are the key properties of 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole?
5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole has a molecular weight of 384.25 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1-methylindole is sourced from PubChem (CID 10000064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).