2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine

C17H15N3 — CID 137190282

IUPAC2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine
SMILESCC1=Nc2ccccc2Nc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C17H15N3/c1-10-7-8-13-12(9-10)17-16(19-13)11(2)18-14-5-3-4-6-15(14)20-17/h3-9,19-20H,1-2H3
InChIKeyFISHQRHVQOKLTC-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.67
Rot. Bonds

About 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine

2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine (PubChem CID 137190282) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine
PubChem CID137190282
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine
SMILESCC1=Nc2ccccc2Nc2c1[nH]c1ccc(C)cc21
InChIInChI=1S/C17H15N3/c1-10-7-8-13-12(9-10)17-16(19-13)11(2)18-14-5-3-4-6-15(14)20-17/h3-9,19-20H,1-2H3
InChIKeyFISHQRHVQOKLTC-UHFFFAOYSA-N
XLogP4.67
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine 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 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine?
The IUPAC name of 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine (CID 137190282) is 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine.
What is the SMILES notation for 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine?
The canonical SMILES for 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine is CC1=Nc2ccccc2Nc2c1[nH]c1ccc(C)cc21.
What is the InChIKey of 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine?
The InChIKey is FISHQRHVQOKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-10-7-8-13-12(9-10)17-16(19-13)11(2)18-14-5-3-4-6-15(14)20-17/h3-9,19-20H,1-2H3.
What are the key properties of 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine?
2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine has a molecular weight of 261.33 g/mol, XLogP of 4.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5,12-dihydroindolo[3,2-b][1,5]benzodiazepine is sourced from PubChem (CID 137190282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).