1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole

C20H24N4 — CID 10734486

IUPAC1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
SMILESCc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1C
InChIInChI=1S/C20H24N4/c1-15-12-18-19(13-16(15)2)24(14-17-6-4-3-5-7-17)20(22-18)23-10-8-21-9-11-23/h3-7,12-13,21H,8-11,14H2,1-2H3
InChIKeyHBJFQCBYCFIBOI-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.11
Rot. Bonds3

About 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole

1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole (PubChem CID 10734486) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
PubChem CID10734486
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
SMILESCc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1C
InChIInChI=1S/C20H24N4/c1-15-12-18-19(13-16(15)2)24(14-17-6-4-3-5-7-17)20(22-18)23-10-8-21-9-11-23/h3-7,12-13,21H,8-11,14H2,1-2H3
InChIKeyHBJFQCBYCFIBOI-UHFFFAOYSA-N
XLogP3.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole (CID 10734486) is 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole is Cc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1C.
What is the InChIKey of 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
The InChIKey is HBJFQCBYCFIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-12-18-19(13-16(15)2)24(14-17-6-4-3-5-7-17)20(22-18)23-10-8-21-9-11-23/h3-7,12-13,21H,8-11,14H2,1-2H3.
What are the key properties of 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole has a molecular weight of 320.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dimethyl-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 10734486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).