2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine

C11H14N2 — CID 137286690

IUPAC2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine
SMILESCC1=NCC(C)Nc2ccccc21
InChIInChI=1S/C11H14N2/c1-8-7-12-9(2)10-5-3-4-6-11(10)13-8/h3-6,8,13H,7H2,1-2H3
InChIKeyIGIFACLAEJTSOB-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.31
Rot. Bonds

About 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine

2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 137286690) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID137286690
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine
SMILESCC1=NCC(C)Nc2ccccc21
InChIInChI=1S/C11H14N2/c1-8-7-12-9(2)10-5-3-4-6-11(10)13-8/h3-6,8,13H,7H2,1-2H3
InChIKeyIGIFACLAEJTSOB-UHFFFAOYSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine (CID 137286690) is 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine is CC1=NCC(C)Nc2ccccc21.
What is the InChIKey of 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is IGIFACLAEJTSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-7-12-9(2)10-5-3-4-6-11(10)13-8/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine?
2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 174.25 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 137286690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).