4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole

C20H19Br2N — CID 145185289

IUPAC4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole
SMILESC/C(=C\c1c(C)cccc1Br)Cc1ccc2c(ccn2C)c1Br
InChIInChI=1S/C20H19Br2N/c1-13(12-17-14(2)5-4-6-18(17)21)11-15-7-8-19-16(20(15)22)9-10-23(19)3/h4-10,12H,11H2,1-3H3/b13-12+
InChIKeyFYBOBLMIHUZKKZ-OUKQBFOZSA-N
MW433.19 g/mol
LogP6.66
Rot. Bonds3

About 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole

4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole (PubChem CID 145185289) has the molecular formula C20H19Br2N and a molecular weight of 433.19 g/mol. Its IUPAC name is 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole.

Molecular Properties

Compound Name4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole
PubChem CID145185289
Molecular FormulaC20H19Br2N
Molecular Weight433.19 g/mol
Exact Mass430.99
IUPAC Name4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole
SMILESC/C(=C\c1c(C)cccc1Br)Cc1ccc2c(ccn2C)c1Br
InChIInChI=1S/C20H19Br2N/c1-13(12-17-14(2)5-4-6-18(17)21)11-15-7-8-19-16(20(15)22)9-10-23(19)3/h4-10,12H,11H2,1-3H3/b13-12+
InChIKeyFYBOBLMIHUZKKZ-OUKQBFOZSA-N
XLogP6.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.19
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole?
The IUPAC name of 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole (CID 145185289) is 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole.
What is the SMILES notation for 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole?
The canonical SMILES for 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole is C/C(=C\c1c(C)cccc1Br)Cc1ccc2c(ccn2C)c1Br.
What is the InChIKey of 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole?
The InChIKey is FYBOBLMIHUZKKZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H19Br2N/c1-13(12-17-14(2)5-4-6-18(17)21)11-15-7-8-19-16(20(15)22)9-10-23(19)3/h4-10,12H,11H2,1-3H3/b13-12+.
What are the key properties of 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole?
4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole has a molecular weight of 433.19 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(E)-3-(2-bromo-6-methylphenyl)-2-methylprop-2-enyl]-1-methylindole is sourced from PubChem (CID 145185289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).