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

C16H19N5 — CID 13423637

IUPAC4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Cn3ccnc32)CC1
InChIInChI=1S/C16H19N5/c1-19-8-10-20(11-9-19)16-15-17-6-7-21(15)12-13-4-2-3-5-14(13)18-16/h2-7H,8-12H2,1H3
InChIKeyDJSNSYWQDJGSEH-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.57
Rot. Bonds

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

4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine (PubChem CID 13423637) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine
PubChem CID13423637
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESCN1CCN(C2=Nc3ccccc3Cn3ccnc32)CC1
InChIInChI=1S/C16H19N5/c1-19-8-10-20(11-9-19)16-15-17-6-7-21(15)12-13-4-2-3-5-14(13)18-16/h2-7H,8-12H2,1H3
InChIKeyDJSNSYWQDJGSEH-UHFFFAOYSA-N
XLogP1.57
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine
CID 11100413
4-(10H-imidazo[2,1-c][1,4]benzodiazepin-4-yl)aniline
CID 11780737
7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine
CID 54338464
4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline
CID 146019866
3-ethenyl-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1-benzazepin-4-ide;yttrium
CID 59277509
2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1]benzazepine
CID 139314589
2-methyl-4-(4-methylpiperazin-1-yl)-10-oxidothieno[2,3-b][1,5]benzodiazepine
CID 18315391
1-methyl-4-(1-phenylimidazol-2-yl)piperazine
CID 21029534
2-methyl-4-(4-methylpiperazin-1-yl)-2H-thieno[3,2-c][1,5]benzodiazepine
CID 70211204
4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][1,5]benzodiazepine
CID 3045973
3-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-4H-quinazoline
CID 68554630
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine (CID 13423637) is 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine is CN1CCN(C2=Nc3ccccc3Cn3ccnc32)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine?
The InChIKey is DJSNSYWQDJGSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-19-8-10-20(11-9-19)16-15-17-6-7-21(15)12-13-4-2-3-5-14(13)18-16/h2-7H,8-12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine?
4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine has a molecular weight of 281.36 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 13423637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).