1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole

C19H22N4 — CID 2773189

IUPAC1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C19H22N4/c1-21-11-13-22(14-12-21)19-20-17-9-5-6-10-18(17)23(19)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyOODJRKVCGNBMRA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.84
Rot. Bonds3

About 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole

1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole (PubChem CID 2773189) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole
PubChem CID2773189
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C19H22N4/c1-21-11-13-22(14-12-21)19-20-17-9-5-6-10-18(17)23(19)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyOODJRKVCGNBMRA-UHFFFAOYSA-N
XLogP2.84
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole (CID 2773189) is 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole is CN1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole?
The InChIKey is OODJRKVCGNBMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-21-11-13-22(14-12-21)19-20-17-9-5-6-10-18(17)23(19)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole?
1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 2773189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).