7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine

C12H14Cl2N2 — CID 2826637

IUPAC7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1=Nc2cc(Cl)c(Cl)cc2NC(C)(C)C1
InChIInChI=1S/C12H14Cl2N2/c1-7-6-12(2,3)16-11-5-9(14)8(13)4-10(11)15-7/h4-5,16H,6H2,1-3H3
InChIKeyORSDXQSOVFLUBP-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.68
Rot. Bonds

About 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine

7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 2826637) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID2826637
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1=Nc2cc(Cl)c(Cl)cc2NC(C)(C)C1
InChIInChI=1S/C12H14Cl2N2/c1-7-6-12(2,3)16-11-5-9(14)8(13)4-10(11)15-7/h4-5,16H,6H2,1-3H3
InChIKeyORSDXQSOVFLUBP-UHFFFAOYSA-N
XLogP4.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine (CID 2826637) is 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine is CC1=Nc2cc(Cl)c(Cl)cc2NC(C)(C)C1.
What is the InChIKey of 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is ORSDXQSOVFLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c1-7-6-12(2,3)16-11-5-9(14)8(13)4-10(11)15-7/h4-5,16H,6H2,1-3H3.
What are the key properties of 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 257.16 g/mol, XLogP of 4.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 2826637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).