1,2,4-trimethyl-3H-benzo[e]indole

C15H15N — CID 67262668

IUPAC1,2,4-trimethyl-3H-benzo[e]indole
SMILESCc1[nH]c2c(C)cc3ccccc3c2c1C
InChIInChI=1S/C15H15N/c1-9-8-12-6-4-5-7-13(12)14-10(2)11(3)16-15(9)14/h4-8,16H,1-3H3
InChIKeyRCHOVZIAADIVJM-UHFFFAOYSA-N
MW209.29 g/mol
LogP4.25
Rot. Bonds

About 1,2,4-trimethyl-3H-benzo[e]indole

1,2,4-trimethyl-3H-benzo[e]indole (PubChem CID 67262668) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,2,4-trimethyl-3H-benzo[e]indole.

Molecular Properties

Compound Name1,2,4-trimethyl-3H-benzo[e]indole
PubChem CID67262668
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name1,2,4-trimethyl-3H-benzo[e]indole
SMILESCc1[nH]c2c(C)cc3ccccc3c2c1C
InChIInChI=1S/C15H15N/c1-9-8-12-6-4-5-7-13(12)14-10(2)11(3)16-15(9)14/h4-8,16H,1-3H3
InChIKeyRCHOVZIAADIVJM-UHFFFAOYSA-N
XLogP4.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1,2,4-trimethyl-3H-benzo[e]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3H-benzo[e]indole?
The IUPAC name of 1,2,4-trimethyl-3H-benzo[e]indole (CID 67262668) is 1,2,4-trimethyl-3H-benzo[e]indole.
What is the SMILES notation for 1,2,4-trimethyl-3H-benzo[e]indole?
The canonical SMILES for 1,2,4-trimethyl-3H-benzo[e]indole is Cc1[nH]c2c(C)cc3ccccc3c2c1C.
What is the InChIKey of 1,2,4-trimethyl-3H-benzo[e]indole?
The InChIKey is RCHOVZIAADIVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-9-8-12-6-4-5-7-13(12)14-10(2)11(3)16-15(9)14/h4-8,16H,1-3H3.
What are the key properties of 1,2,4-trimethyl-3H-benzo[e]indole?
1,2,4-trimethyl-3H-benzo[e]indole has a molecular weight of 209.29 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3H-benzo[e]indole is sourced from PubChem (CID 67262668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).