5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole

C25H21BrN2O — CID 134948863

IUPAC5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole
SMILESCOc1cccc([C@H](c2c[nH]c3ccccc23)c2cn(C)c3ccc(Br)cc23)c1
InChIInChI=1S/C25H21BrN2O/c1-28-15-22(20-13-17(26)10-11-24(20)28)25(16-6-5-7-18(12-16)29-2)21-14-27-23-9-4-3-8-19(21)23/h3-15,25,27H,1-2H3/t25-/m1/s1
InChIKeyWJOVNRBUHMVIPU-RUZDIDTESA-N
MW445.36 g/mol
LogP6.61
Rot. Bonds4

About 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole

5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole (PubChem CID 134948863) has the molecular formula C25H21BrN2O and a molecular weight of 445.36 g/mol. Its IUPAC name is 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole.

Molecular Properties

Compound Name5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole
PubChem CID134948863
Molecular FormulaC25H21BrN2O
Molecular Weight445.36 g/mol
Exact Mass444.08
IUPAC Name5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole
SMILESCOc1cccc([C@H](c2c[nH]c3ccccc23)c2cn(C)c3ccc(Br)cc23)c1
InChIInChI=1S/C25H21BrN2O/c1-28-15-22(20-13-17(26)10-11-24(20)28)25(16-6-5-7-18(12-16)29-2)21-14-27-23-9-4-3-8-19(21)23/h3-15,25,27H,1-2H3/t25-/m1/s1
InChIKeyWJOVNRBUHMVIPU-RUZDIDTESA-N
XLogP6.61
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-MeO-DALT
CID 50878551
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047
5-Methoxy-3-(2-(1-pyrrolidinyl)ethyl)-1H-indole
CID 17053
5-MeO-NBpBrT
CID 5124753
2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
CID 10836606
2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine
CID 11797998
N-Benzyl-5-methoxytryptamine
CID 134909
5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 3055249
5-MeO-MPMI
CID 9881324
1H-Indole, 3,3'-methylenebis[5-methoxy-
CID 9944370
5-Methoxy-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 11053438
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole?
The IUPAC name of 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole (CID 134948863) is 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole.
What is the SMILES notation for 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole?
The canonical SMILES for 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole is COc1cccc([C@H](c2c[nH]c3ccccc23)c2cn(C)c3ccc(Br)cc23)c1.
What is the InChIKey of 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole?
The InChIKey is WJOVNRBUHMVIPU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21BrN2O/c1-28-15-22(20-13-17(26)10-11-24(20)28)25(16-6-5-7-18(12-16)29-2)21-14-27-23-9-4-3-8-19(21)23/h3-15,25,27H,1-2H3/t25-/m1/s1.
What are the key properties of 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole?
5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole has a molecular weight of 445.36 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(R)-1H-indol-3-yl-(3-methoxyphenyl)methyl]-1-methylindole is sourced from PubChem (CID 134948863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).