1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole

C22H28N4 — CID 90040298

IUPAC1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
SMILESCN1CCN(CCCc2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4/c1-24-14-16-25(17-15-24)13-7-12-22-23-20-10-5-6-11-21(20)26(22)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3
InChIKeyFPPAYPPJQSVNBM-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.26
Rot. Bonds6

About 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole

1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole (PubChem CID 90040298) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
PubChem CID90040298
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
SMILESCN1CCN(CCCc2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C22H28N4/c1-24-14-16-25(17-15-24)13-7-12-22-23-20-10-5-6-11-21(20)26(22)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3
InChIKeyFPPAYPPJQSVNBM-UHFFFAOYSA-N
XLogP3.26
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
1-benzyl-2-propylbenzimidazole
CID 764560
1-(1-benzylbenzimidazol-2-yl)-2-(4-methylpiperazin-1-yl)ethanethiol
CID 57314747
2-[3-(azepan-1-yl)propyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 18885639
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbaldehyde
CID 90040131

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole (CID 90040298) is 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole is CN1CCN(CCCc2nc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
The InChIKey is FPPAYPPJQSVNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-24-14-16-25(17-15-24)13-7-12-22-23-20-10-5-6-11-21(20)26(22)18-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3.
What are the key properties of 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole?
1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole has a molecular weight of 348.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole is sourced from PubChem (CID 90040298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).