3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine

C14H10Cl2N2 — CID 58875656

IUPAC3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine
SMILESCN1c2ccc(Cl)cc2N=C(Cl)c2ccccc21
InChIInChI=1S/C14H10Cl2N2/c1-18-12-5-3-2-4-10(12)14(16)17-11-8-9(15)6-7-13(11)18/h2-8H,1H3
InChIKeyUJOCJUYSFGKSFE-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.74
Rot. Bonds

About 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine

3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine (PubChem CID 58875656) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine.

Molecular Properties

Compound Name3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine
PubChem CID58875656
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine
SMILESCN1c2ccc(Cl)cc2N=C(Cl)c2ccccc21
InChIInChI=1S/C14H10Cl2N2/c1-18-12-5-3-2-4-10(12)14(16)17-11-8-9(15)6-7-13(11)18/h2-8H,1H3
InChIKeyUJOCJUYSFGKSFE-UHFFFAOYSA-N
XLogP4.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine?
The IUPAC name of 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine (CID 58875656) is 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine.
What is the SMILES notation for 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine?
The canonical SMILES for 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine is CN1c2ccc(Cl)cc2N=C(Cl)c2ccccc21.
What is the InChIKey of 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine?
The InChIKey is UJOCJUYSFGKSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c1-18-12-5-3-2-4-10(12)14(16)17-11-8-9(15)6-7-13(11)18/h2-8H,1H3.
What are the key properties of 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine?
3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine has a molecular weight of 277.15 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-11-methylbenzo[b][1,4]benzodiazepine is sourced from PubChem (CID 58875656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).