4-methyl-1,4-benzodiazepine

C10H10N2 — CID 158266947

IUPAC4-methyl-1,4-benzodiazepine
SMILESCN1C=CN=c2ccccc2=C1
InChIInChI=1S/C10H10N2/c1-12-7-6-11-10-5-3-2-4-9(10)8-12/h2-8H,1H3
InChIKeyGIOJXRHEMTZMHK-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.46
Rot. Bonds

About 4-methyl-1,4-benzodiazepine

4-methyl-1,4-benzodiazepine (PubChem CID 158266947) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-methyl-1,4-benzodiazepine.

Molecular Properties

Compound Name4-methyl-1,4-benzodiazepine
PubChem CID158266947
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4-methyl-1,4-benzodiazepine
SMILESCN1C=CN=c2ccccc2=C1
InChIInChI=1S/C10H10N2/c1-12-7-6-11-10-5-3-2-4-9(10)8-12/h2-8H,1H3
InChIKeyGIOJXRHEMTZMHK-UHFFFAOYSA-N
XLogP0.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-benzodiazepine?
The IUPAC name of 4-methyl-1,4-benzodiazepine (CID 158266947) is 4-methyl-1,4-benzodiazepine.
What is the SMILES notation for 4-methyl-1,4-benzodiazepine?
The canonical SMILES for 4-methyl-1,4-benzodiazepine is CN1C=CN=c2ccccc2=C1.
What is the InChIKey of 4-methyl-1,4-benzodiazepine?
The InChIKey is GIOJXRHEMTZMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-7-6-11-10-5-3-2-4-9(10)8-12/h2-8H,1H3.
What are the key properties of 4-methyl-1,4-benzodiazepine?
4-methyl-1,4-benzodiazepine has a molecular weight of 158.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-benzodiazepine is sourced from PubChem (CID 158266947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).