4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine

C11H14N2 — CID 151468670

IUPAC4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine
SMILESCc1cccc2c1=CN(C)CCN=2
InChIInChI=1S/C11H14N2/c1-9-4-3-5-11-10(9)8-13(2)7-6-12-11/h3-5,8H,6-7H2,1-2H3
InChIKeyPJZQTLJTXKLTSE-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.30
Rot. Bonds

About 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine

4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 151468670) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID151468670
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine
SMILESCc1cccc2c1=CN(C)CCN=2
InChIInChI=1S/C11H14N2/c1-9-4-3-5-11-10(9)8-13(2)7-6-12-11/h3-5,8H,6-7H2,1-2H3
InChIKeyPJZQTLJTXKLTSE-UHFFFAOYSA-N
XLogP0.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-2,3-dihydro-1,4-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 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine (CID 151468670) is 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine is Cc1cccc2c1=CN(C)CCN=2.
What is the InChIKey of 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is PJZQTLJTXKLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-4-3-5-11-10(9)8-13(2)7-6-12-11/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine?
4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 174.25 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 151468670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).