5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole

C20H18Br2N2 — CID 102124883

IUPAC5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole
SMILESCC(c1cn(C)c2ccc(Br)cc12)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C20H18Br2N2/c1-12(17-10-23(2)19-6-4-13(21)8-15(17)19)18-11-24(3)20-7-5-14(22)9-16(18)20/h4-12H,1-3H3
InChIKeyQWHAXFIQAKWWTJ-UHFFFAOYSA-N
MW446.19 g/mol
LogP6.35
Rot. Bonds2

About 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole

5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole (PubChem CID 102124883) has the molecular formula C20H18Br2N2 and a molecular weight of 446.19 g/mol. Its IUPAC name is 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole.

Molecular Properties

Compound Name5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole
PubChem CID102124883
Molecular FormulaC20H18Br2N2
Molecular Weight446.19 g/mol
Exact Mass443.98
IUPAC Name5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole
SMILESCC(c1cn(C)c2ccc(Br)cc12)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C20H18Br2N2/c1-12(17-10-23(2)19-6-4-13(21)8-15(17)19)18-11-24(3)20-7-5-14(22)9-16(18)20/h4-12H,1-3H3
InChIKeyQWHAXFIQAKWWTJ-UHFFFAOYSA-N
XLogP6.35
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.19
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole with MolForge

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

Launch Full Analysis

Related Compounds

5-Bromotryptamine
CID 77158
Pyrrolidinylindole, 6
CID 10136837
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
[2-(3-Benzyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 20722800
(S)-wiskostatin
CID 448668
1-(2-Bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole
CID 56666594
5-bromo-2-(6-bromo-1H-indol-2-yl)-1-methylindole
CID 76321403
5-Bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 127036953
6-Bromo-1-methyl-9H-pyrido(3,4-b)indole
CID 5380465

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole?
The IUPAC name of 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole (CID 102124883) is 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole.
What is the SMILES notation for 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole?
The canonical SMILES for 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole is CC(c1cn(C)c2ccc(Br)cc12)c1cn(C)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole?
The InChIKey is QWHAXFIQAKWWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2N2/c1-12(17-10-23(2)19-6-4-13(21)8-15(17)19)18-11-24(3)20-7-5-14(22)9-16(18)20/h4-12H,1-3H3.
What are the key properties of 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole?
5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole has a molecular weight of 446.19 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(5-bromo-1-methylindol-3-yl)ethyl]-1-methylindole is sourced from PubChem (CID 102124883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).