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

C20H24N4 — CID 175304441

IUPAC1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine
SMILESCN1CCN(c2ccc(C3=NNCCc4ccccc43)cc2)CC1
InChIInChI=1S/C20H24N4/c1-23-12-14-24(15-13-23)18-8-6-17(7-9-18)20-19-5-3-2-4-16(19)10-11-21-22-20/h2-9,21H,10-15H2,1H3
InChIKeyFSHGGVZHRYQDAJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.34
Rot. Bonds2

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

1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine (PubChem CID 175304441) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine
PubChem CID175304441
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine
SMILESCN1CCN(c2ccc(C3=NNCCc4ccccc43)cc2)CC1
InChIInChI=1S/C20H24N4/c1-23-12-14-24(15-13-23)18-8-6-17(7-9-18)20-19-5-3-2-4-16(19)10-11-21-22-20/h2-9,21H,10-15H2,1H3
InChIKeyFSHGGVZHRYQDAJ-UHFFFAOYSA-N
XLogP2.34
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine (CID 175304441) is 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine is CN1CCN(c2ccc(C3=NNCCc4ccccc43)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine?
The InChIKey is FSHGGVZHRYQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-23-12-14-24(15-13-23)18-8-6-17(7-9-18)20-19-5-3-2-4-16(19)10-11-21-22-20/h2-9,21H,10-15H2,1H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine?
1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine has a molecular weight of 320.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine is sourced from PubChem (CID 175304441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).