1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine

C20H22N4 — CID 11844834

IUPAC1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine
SMILESCN1CCN(C2=NN=C(c3ccccc3)Cc3ccccc32)CC1
InChIInChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-18-10-6-5-9-17(18)15-19(21-22-20)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyRBUSUEVFOCKLGQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.64
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine

1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine (PubChem CID 11844834) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine
PubChem CID11844834
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine
SMILESCN1CCN(C2=NN=C(c3ccccc3)Cc3ccccc32)CC1
InChIInChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-18-10-6-5-9-17(18)15-19(21-22-20)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyRBUSUEVFOCKLGQ-UHFFFAOYSA-N
XLogP2.64
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine (CID 11844834) is 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine is CN1CCN(C2=NN=C(c3ccccc3)Cc3ccccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine?
The InChIKey is RBUSUEVFOCKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)20-18-10-6-5-9-17(18)15-19(21-22-20)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine?
1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine has a molecular weight of 318.42 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-phenyl-5H-2,3-benzodiazepine is sourced from PubChem (CID 11844834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).