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

C18H19N — CID 131886954

IUPAC2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole
SMILESCc1ccc(C)c(-c2cc3cc(C)cc(C)c3[nH]2)c1
InChIInChI=1S/C18H19N/c1-11-5-6-13(3)16(9-11)17-10-15-8-12(2)7-14(4)18(15)19-17/h5-10,19H,1-4H3
InChIKeyZQOBRLUWYXBLGO-UHFFFAOYSA-N
MW249.36 g/mol
LogP5.07
Rot. Bonds1

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

2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole (PubChem CID 131886954) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole
PubChem CID131886954
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole
SMILESCc1ccc(C)c(-c2cc3cc(C)cc(C)c3[nH]2)c1
InChIInChI=1S/C18H19N/c1-11-5-6-13(3)16(9-11)17-10-15-8-12(2)7-14(4)18(15)19-17/h5-10,19H,1-4H3
InChIKeyZQOBRLUWYXBLGO-UHFFFAOYSA-N
XLogP5.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole?
The IUPAC name of 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole (CID 131886954) is 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole is Cc1ccc(C)c(-c2cc3cc(C)cc(C)c3[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole?
The InChIKey is ZQOBRLUWYXBLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-11-5-6-13(3)16(9-11)17-10-15-8-12(2)7-14(4)18(15)19-17/h5-10,19H,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole?
2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole has a molecular weight of 249.36 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole is sourced from PubChem (CID 131886954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).