7-bromo-2-(2,5-dimethylphenyl)-1H-indole

C16H14BrN — CID 131886878

IUPAC7-bromo-2-(2,5-dimethylphenyl)-1H-indole
SMILESCc1ccc(C)c(-c2cc3cccc(Br)c3[nH]2)c1
InChIInChI=1S/C16H14BrN/c1-10-6-7-11(2)13(8-10)15-9-12-4-3-5-14(17)16(12)18-15/h3-9,18H,1-2H3
InChIKeyWUSAJFBHVBJLSJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP5.21
Rot. Bonds1

About 7-bromo-2-(2,5-dimethylphenyl)-1H-indole

7-bromo-2-(2,5-dimethylphenyl)-1H-indole (PubChem CID 131886878) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 7-bromo-2-(2,5-dimethylphenyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-2-(2,5-dimethylphenyl)-1H-indole
PubChem CID131886878
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name7-bromo-2-(2,5-dimethylphenyl)-1H-indole
SMILESCc1ccc(C)c(-c2cc3cccc(Br)c3[nH]2)c1
InChIInChI=1S/C16H14BrN/c1-10-6-7-11(2)13(8-10)15-9-12-4-3-5-14(17)16(12)18-15/h3-9,18H,1-2H3
InChIKeyWUSAJFBHVBJLSJ-UHFFFAOYSA-N
XLogP5.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.20
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole
CID 131886954
2-(2-bromophenyl)-5,7-dimethyl-1H-indole
CID 131886941
7-bromo-2-(3-chlorophenyl)-1H-indole
CID 131886846
7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid
CID 169084297
2-(4-bromophenyl)-7-methyl-1H-indole
CID 86031866
3,8-dibromo-1H-quinolin-2-one
CID 91465059
7-fluoro-2-(4-methylphenyl)-1H-indole
CID 131886972
6-(2,5-dimethylphenyl)-4-sulfanylidene-1H-pyrimidin-2-one
CID 121206466
5-(7-bromo-1H-indol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 136985728
2-(2,5-dimethylphenyl)-6-methylaniline
CID 23622687
2-(2-chlorophenyl)-6,7-dimethyl-1H-indole
CID 131886906
4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one
CID 11084984

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,5-dimethylphenyl)-1H-indole?
The IUPAC name of 7-bromo-2-(2,5-dimethylphenyl)-1H-indole (CID 131886878) is 7-bromo-2-(2,5-dimethylphenyl)-1H-indole.
What is the SMILES notation for 7-bromo-2-(2,5-dimethylphenyl)-1H-indole?
The canonical SMILES for 7-bromo-2-(2,5-dimethylphenyl)-1H-indole is Cc1ccc(C)c(-c2cc3cccc(Br)c3[nH]2)c1.
What is the InChIKey of 7-bromo-2-(2,5-dimethylphenyl)-1H-indole?
The InChIKey is WUSAJFBHVBJLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c1-10-6-7-11(2)13(8-10)15-9-12-4-3-5-14(17)16(12)18-15/h3-9,18H,1-2H3.
What are the key properties of 7-bromo-2-(2,5-dimethylphenyl)-1H-indole?
7-bromo-2-(2,5-dimethylphenyl)-1H-indole has a molecular weight of 300.20 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2,5-dimethylphenyl)-1H-indole is sourced from PubChem (CID 131886878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).