4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine

C22H23N5 — CID 11100413

IUPAC4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESCN1CCN(c2ccc(C3=Nc4ccccc4Cn4ccnc43)cc2)CC1
InChIInChI=1S/C22H23N5/c1-25-12-14-26(15-13-25)19-8-6-17(7-9-19)21-22-23-10-11-27(22)16-18-4-2-3-5-20(18)24-21/h2-11H,12-16H2,1H3
InChIKeyRYCWUNZYQSLZJV-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.17
Rot. Bonds2

About 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine

4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine (PubChem CID 11100413) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine
PubChem CID11100413
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESCN1CCN(c2ccc(C3=Nc4ccccc4Cn4ccnc43)cc2)CC1
InChIInChI=1S/C22H23N5/c1-25-12-14-26(15-13-25)19-8-6-17(7-9-19)21-22-23-10-11-27(22)16-18-4-2-3-5-20(18)24-21/h2-11H,12-16H2,1H3
InChIKeyRYCWUNZYQSLZJV-UHFFFAOYSA-N
XLogP3.17
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine (CID 11100413) is 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine is CN1CCN(c2ccc(C3=Nc4ccccc4Cn4ccnc43)cc2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
The InChIKey is RYCWUNZYQSLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-25-12-14-26(15-13-25)19-8-6-17(7-9-19)21-22-23-10-11-27(22)16-18-4-2-3-5-20(18)24-21/h2-11H,12-16H2,1H3.
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine has a molecular weight of 357.46 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 11100413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).