2,2-dimethyl-1,4-benzodiazepine

C11H12N2 — CID 91277727

IUPAC2,2-dimethyl-1,4-benzodiazepine
SMILESCC1(C)C=NC=c2ccccc2=N1
InChIInChI=1S/C11H12N2/c1-11(2)8-12-7-9-5-3-4-6-10(9)13-11/h3-8H,1-2H3
InChIKeyFFSMGYSDRZWRLF-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.91
Rot. Bonds

About 2,2-dimethyl-1,4-benzodiazepine

2,2-dimethyl-1,4-benzodiazepine (PubChem CID 91277727) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-benzodiazepine.

Molecular Properties

Compound Name2,2-dimethyl-1,4-benzodiazepine
PubChem CID91277727
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,2-dimethyl-1,4-benzodiazepine
SMILESCC1(C)C=NC=c2ccccc2=N1
InChIInChI=1S/C11H12N2/c1-11(2)8-12-7-9-5-3-4-6-10(9)13-11/h3-8H,1-2H3
InChIKeyFFSMGYSDRZWRLF-UHFFFAOYSA-N
XLogP0.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
1,4-Benzodiazepine-2-thione
CID 18930017
2H-1,4-Benzodiazepine
CID 21162934
Pyrrolobenzazepine
CID 88072644
2-fluoro-2H-1,4-benzodiazepine
CID 151308388
2-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepine
CID 154378465
2-(1,2,2-trifluoroethyl)-2H-1,4-benzodiazepine
CID 174547053
Dibenzo[b,f][1,4]diazocine
CID 11969075
2,5-dimethyl-3H-azepine
CID 11819081
1,5-Benzodiazocine
CID 23633143
Methyldiazepinoindole
CID 129801400
6-propyl-3H-azepine
CID 53671035

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-benzodiazepine?
The IUPAC name of 2,2-dimethyl-1,4-benzodiazepine (CID 91277727) is 2,2-dimethyl-1,4-benzodiazepine.
What is the SMILES notation for 2,2-dimethyl-1,4-benzodiazepine?
The canonical SMILES for 2,2-dimethyl-1,4-benzodiazepine is CC1(C)C=NC=c2ccccc2=N1.
What is the InChIKey of 2,2-dimethyl-1,4-benzodiazepine?
The InChIKey is FFSMGYSDRZWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)8-12-7-9-5-3-4-6-10(9)13-11/h3-8H,1-2H3.
What are the key properties of 2,2-dimethyl-1,4-benzodiazepine?
2,2-dimethyl-1,4-benzodiazepine has a molecular weight of 172.23 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-benzodiazepine is sourced from PubChem (CID 91277727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).