2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine

C12H16N2 — CID 90144630

IUPAC2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine
SMILESCC(C)N1C=NCc2ccccc2C1
InChIInChI=1S/C12H16N2/c1-10(2)14-8-12-6-4-3-5-11(12)7-13-9-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDIHIXNHTNQOUKX-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.44
Rot. Bonds1

About 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine

2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine (PubChem CID 90144630) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine.

Molecular Properties

Compound Name2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine
PubChem CID90144630
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine
SMILESCC(C)N1C=NCc2ccccc2C1
InChIInChI=1S/C12H16N2/c1-10(2)14-8-12-6-4-3-5-11(12)7-13-9-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDIHIXNHTNQOUKX-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-1,5-dihydro-2,4-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 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine?
The IUPAC name of 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine (CID 90144630) is 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine.
What is the SMILES notation for 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine?
The canonical SMILES for 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine is CC(C)N1C=NCc2ccccc2C1.
What is the InChIKey of 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine?
The InChIKey is DIHIXNHTNQOUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10(2)14-8-12-6-4-3-5-11(12)7-13-9-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine?
2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine has a molecular weight of 188.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,5-dihydro-2,4-benzodiazepine is sourced from PubChem (CID 90144630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).