1-methyl-1,2-benzodiazepine

C10H10N2 — CID 12543525

IUPAC1-methyl-1,2-benzodiazepine
SMILESCN1N=CC=Cc2ccccc21
InChIInChI=1S/C10H10N2/c1-12-10-7-3-2-5-9(10)6-4-8-11-12/h2-8H,1H3
InChIKeyIBBBQTBGOQIHFA-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.14
Rot. Bonds

About 1-methyl-1,2-benzodiazepine

1-methyl-1,2-benzodiazepine (PubChem CID 12543525) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-1,2-benzodiazepine.

Molecular Properties

Compound Name1-methyl-1,2-benzodiazepine
PubChem CID12543525
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-methyl-1,2-benzodiazepine
SMILESCN1N=CC=Cc2ccccc21
InChIInChI=1S/C10H10N2/c1-12-10-7-3-2-5-9(10)6-4-8-11-12/h2-8H,1H3
InChIKeyIBBBQTBGOQIHFA-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2-benzodiazepine?
The IUPAC name of 1-methyl-1,2-benzodiazepine (CID 12543525) is 1-methyl-1,2-benzodiazepine.
What is the SMILES notation for 1-methyl-1,2-benzodiazepine?
The canonical SMILES for 1-methyl-1,2-benzodiazepine is CN1N=CC=Cc2ccccc21.
What is the InChIKey of 1-methyl-1,2-benzodiazepine?
The InChIKey is IBBBQTBGOQIHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-12-10-7-3-2-5-9(10)6-4-8-11-12/h2-8H,1H3.
What are the key properties of 1-methyl-1,2-benzodiazepine?
1-methyl-1,2-benzodiazepine has a molecular weight of 158.20 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2-benzodiazepine is sourced from PubChem (CID 12543525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).