2-propan-2-yl-2H-1,4-benzodiazepine

C12H14N2 — CID 142416235

IUPAC2-propan-2-yl-2H-1,4-benzodiazepine
SMILESCC(C)C1C=NC=c2ccccc2=N1
InChIInChI=1S/C12H14N2/c1-9(2)12-8-13-7-10-5-3-4-6-11(10)14-12/h3-9,12H,1-2H3
InChIKeyLCHJNXJUVRWQKT-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.15
Rot. Bonds1

About 2-propan-2-yl-2H-1,4-benzodiazepine

2-propan-2-yl-2H-1,4-benzodiazepine (PubChem CID 142416235) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-propan-2-yl-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name2-propan-2-yl-2H-1,4-benzodiazepine
PubChem CID142416235
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-propan-2-yl-2H-1,4-benzodiazepine
SMILESCC(C)C1C=NC=c2ccccc2=N1
InChIInChI=1S/C12H14N2/c1-9(2)12-8-13-7-10-5-3-4-6-11(10)14-12/h3-9,12H,1-2H3
InChIKeyLCHJNXJUVRWQKT-UHFFFAOYSA-N
XLogP1.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2H-1,4-benzodiazepine?
The IUPAC name of 2-propan-2-yl-2H-1,4-benzodiazepine (CID 142416235) is 2-propan-2-yl-2H-1,4-benzodiazepine.
What is the SMILES notation for 2-propan-2-yl-2H-1,4-benzodiazepine?
The canonical SMILES for 2-propan-2-yl-2H-1,4-benzodiazepine is CC(C)C1C=NC=c2ccccc2=N1.
What is the InChIKey of 2-propan-2-yl-2H-1,4-benzodiazepine?
The InChIKey is LCHJNXJUVRWQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9(2)12-8-13-7-10-5-3-4-6-11(10)14-12/h3-9,12H,1-2H3.
What are the key properties of 2-propan-2-yl-2H-1,4-benzodiazepine?
2-propan-2-yl-2H-1,4-benzodiazepine has a molecular weight of 186.26 g/mol, XLogP of 1.15, 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-2H-1,4-benzodiazepine is sourced from PubChem (CID 142416235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).