3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole

C25H21BrN2 — CID 10873657

IUPAC3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
SMILESCn1cc(C(c2ccc(Br)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H21BrN2/c1-27-15-21(19-7-3-5-9-23(19)27)25(17-11-13-18(26)14-12-17)22-16-28(2)24-10-6-4-8-20(22)24/h3-16,25H,1-2H3
InChIKeyCKVHUGJJHRARFH-UHFFFAOYSA-N
MW429.36 g/mol
LogP6.61
Rot. Bonds3

About 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole

3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole (PubChem CID 10873657) has the molecular formula C25H21BrN2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole.

Molecular Properties

Compound Name3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
PubChem CID10873657
Molecular FormulaC25H21BrN2
Molecular Weight429.36 g/mol
Exact Mass428.09
IUPAC Name3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
SMILESCn1cc(C(c2ccc(Br)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H21BrN2/c1-27-15-21(19-7-3-5-9-23(19)27)25(17-11-13-18(26)14-12-17)22-16-28(2)24-10-6-4-8-20(22)24/h3-16,25H,1-2H3
InChIKeyCKVHUGJJHRARFH-UHFFFAOYSA-N
XLogP6.61
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.36
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
The IUPAC name of 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole (CID 10873657) is 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole.
What is the SMILES notation for 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
The canonical SMILES for 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole is Cn1cc(C(c2ccc(Br)cc2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
The InChIKey is CKVHUGJJHRARFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2/c1-27-15-21(19-7-3-5-9-23(19)27)25(17-11-13-18(26)14-12-17)22-16-28(2)24-10-6-4-8-20(22)24/h3-16,25H,1-2H3.
What are the key properties of 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole has a molecular weight of 429.36 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole is sourced from PubChem (CID 10873657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).