6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole

C22H22Br2N4 — CID 14467479

IUPAC6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole
SMILESCN1CC(c2c[nH]c3cc(Br)ccc23)N(C)CC1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C22H22Br2N4/c1-27-11-22(18-10-26-20-8-14(24)4-6-16(18)20)28(2)12-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h3-10,21-22,25-26H,11-12H2,1-2H3
InChIKeyGRBPIEOBAMGKFD-UHFFFAOYSA-N
MW502.25 g/mol
LogP5.83
Rot. Bonds2

About 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole

6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole (PubChem CID 14467479) has the molecular formula C22H22Br2N4 and a molecular weight of 502.25 g/mol. Its IUPAC name is 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole.

Molecular Properties

Compound Name6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole
PubChem CID14467479
Molecular FormulaC22H22Br2N4
Molecular Weight502.25 g/mol
Exact Mass500.02
IUPAC Name6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole
SMILESCN1CC(c2c[nH]c3cc(Br)ccc23)N(C)CC1c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C22H22Br2N4/c1-27-11-22(18-10-26-20-8-14(24)4-6-16(18)20)28(2)12-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h3-10,21-22,25-26H,11-12H2,1-2H3
InChIKeyGRBPIEOBAMGKFD-UHFFFAOYSA-N
XLogP5.83
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.25
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole?
The IUPAC name of 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole (CID 14467479) is 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole.
What is the SMILES notation for 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole?
The canonical SMILES for 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole is CN1CC(c2c[nH]c3cc(Br)ccc23)N(C)CC1c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole?
The InChIKey is GRBPIEOBAMGKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Br2N4/c1-27-11-22(18-10-26-20-8-14(24)4-6-16(18)20)28(2)12-21(27)17-9-25-19-7-13(23)3-5-15(17)19/h3-10,21-22,25-26H,11-12H2,1-2H3.
What are the key properties of 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole?
6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole has a molecular weight of 502.25 g/mol, XLogP of 5.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[5-(6-bromo-1H-indol-3-yl)-1,4-dimethylpiperazin-2-yl]-1H-indole is sourced from PubChem (CID 14467479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).