2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine

C22H18Br2N2 — CID 2836816

IUPAC2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=Nc2ccccc2N1
InChIInChI=1S/C22H18Br2N2/c1-22(16-8-12-18(24)13-9-16)14-21(15-6-10-17(23)11-7-15)25-19-4-2-3-5-20(19)26-22/h2-13,26H,14H2,1H3
InChIKeyUFWQGLSTWJWWBV-UHFFFAOYSA-N
MW470.21 g/mol
LogP7.06
Rot. Bonds2

About 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine

2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 2836816) has the molecular formula C22H18Br2N2 and a molecular weight of 470.21 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID2836816
Molecular FormulaC22H18Br2N2
Molecular Weight470.21 g/mol
Exact Mass467.98
IUPAC Name2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=Nc2ccccc2N1
InChIInChI=1S/C22H18Br2N2/c1-22(16-8-12-18(24)13-9-16)14-21(15-6-10-17(23)11-7-15)25-19-4-2-3-5-20(19)26-22/h2-13,26H,14H2,1H3
InChIKeyUFWQGLSTWJWWBV-UHFFFAOYSA-N
XLogP7.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.21
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine (CID 2836816) is 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine is CC1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=Nc2ccccc2N1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is UFWQGLSTWJWWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N2/c1-22(16-8-12-18(24)13-9-16)14-21(15-6-10-17(23)11-7-15)25-19-4-2-3-5-20(19)26-22/h2-13,26H,14H2,1H3.
What are the key properties of 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 470.21 g/mol, XLogP of 7.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 2836816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).