5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole

C19H13BrF3N3 — CID 142619926

IUPAC5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole
SMILESFC(F)(F)c1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C19H13BrF3N3/c20-15-5-6-16-13(7-15)8-17(25-16)18-9-24-11-26(18)10-12-1-3-14(4-2-12)19(21,22)23/h1-9,11,25H,10H2
InChIKeyWUKHMKZMNDFMRC-UHFFFAOYSA-N
MW420.23 g/mol
LogP5.86
Rot. Bonds3

About 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole

5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole (PubChem CID 142619926) has the molecular formula C19H13BrF3N3 and a molecular weight of 420.23 g/mol. Its IUPAC name is 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole
PubChem CID142619926
Molecular FormulaC19H13BrF3N3
Molecular Weight420.23 g/mol
Exact Mass419.02
IUPAC Name5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole
SMILESFC(F)(F)c1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C19H13BrF3N3/c20-15-5-6-16-13(7-15)8-17(25-16)18-9-24-11-26(18)10-12-1-3-14(4-2-12)19(21,22)23/h1-9,11,25H,10H2
InChIKeyWUKHMKZMNDFMRC-UHFFFAOYSA-N
XLogP5.86
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.23
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole?
The IUPAC name of 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole (CID 142619926) is 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole.
What is the SMILES notation for 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole?
The canonical SMILES for 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole is FC(F)(F)c1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1.
What is the InChIKey of 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole?
The InChIKey is WUKHMKZMNDFMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N3/c20-15-5-6-16-13(7-15)8-17(25-16)18-9-24-11-26(18)10-12-1-3-14(4-2-12)19(21,22)23/h1-9,11,25H,10H2.
What are the key properties of 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole?
5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole has a molecular weight of 420.23 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1H-indole is sourced from PubChem (CID 142619926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).