4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine

C21H17BrN2 — CID 5170984

IUPAC4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine
SMILESBrc1ccc(C2=CC(c3ccccc3)Nc3ccccc3N2)cc1
InChIInChI=1S/C21H17BrN2/c22-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-14,20,23-24H
InChIKeyDLNVDRICUKGVOU-UHFFFAOYSA-N
MW377.29 g/mol
LogP6.07
Rot. Bonds2

About 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine

4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine (PubChem CID 5170984) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine
PubChem CID5170984
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine
SMILESBrc1ccc(C2=CC(c3ccccc3)Nc3ccccc3N2)cc1
InChIInChI=1S/C21H17BrN2/c22-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-14,20,23-24H
InChIKeyDLNVDRICUKGVOU-UHFFFAOYSA-N
XLogP6.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine (CID 5170984) is 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine is Brc1ccc(C2=CC(c3ccccc3)Nc3ccccc3N2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine?
The InChIKey is DLNVDRICUKGVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)23-18-8-4-5-9-19(18)24-21/h1-14,20,23-24H.
What are the key properties of 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine?
4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine has a molecular weight of 377.29 g/mol, XLogP of 6.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-phenyl-2,5-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 5170984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).