5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole

C20H18BrN3 — CID 10091150

IUPAC5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole
SMILESCCn1cc(C(c2ccccc2)n2ccnc2)c2cc(Br)ccc21
InChIInChI=1S/C20H18BrN3/c1-2-23-13-18(17-12-16(21)8-9-19(17)23)20(24-11-10-22-14-24)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3
InChIKeyZHCFTAIJXUXUPH-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.26
Rot. Bonds4

About 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole

5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole (PubChem CID 10091150) has the molecular formula C20H18BrN3 and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole
PubChem CID10091150
Molecular FormulaC20H18BrN3
Molecular Weight380.29 g/mol
Exact Mass379.07
IUPAC Name5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole
SMILESCCn1cc(C(c2ccccc2)n2ccnc2)c2cc(Br)ccc21
InChIInChI=1S/C20H18BrN3/c1-2-23-13-18(17-12-16(21)8-9-19(17)23)20(24-11-10-22-14-24)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3
InChIKeyZHCFTAIJXUXUPH-UHFFFAOYSA-N
XLogP5.26
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole?
The IUPAC name of 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole (CID 10091150) is 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole is CCn1cc(C(c2ccccc2)n2ccnc2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole?
The InChIKey is ZHCFTAIJXUXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3/c1-2-23-13-18(17-12-16(21)8-9-19(17)23)20(24-11-10-22-14-24)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole?
5-bromo-1-ethyl-3-[imidazol-1-yl(phenyl)methyl]indole has a molecular weight of 380.29 g/mol, XLogP of 5.26, 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-[imidazol-1-yl(phenyl)methyl]indole is sourced from PubChem (CID 10091150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).