2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole

C24H25N5 — CID 170220573

IUPAC2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole
SMILESCc1ccc(-c2nc3ccc(N4CCNCC4)cc3n2-c2ccnc(C)c2)cc1
InChIInChI=1S/C24H25N5/c1-17-3-5-19(6-4-17)24-27-22-8-7-20(28-13-11-25-12-14-28)16-23(22)29(24)21-9-10-26-18(2)15-21/h3-10,15-16,25H,11-14H2,1-2H3
InChIKeyTYRAARMFXVAORZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole

2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole (PubChem CID 170220573) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole
PubChem CID170220573
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole
SMILESCc1ccc(-c2nc3ccc(N4CCNCC4)cc3n2-c2ccnc(C)c2)cc1
InChIInChI=1S/C24H25N5/c1-17-3-5-19(6-4-17)24-27-22-8-7-20(28-13-11-25-12-14-28)16-23(22)29(24)21-9-10-26-18(2)15-21/h3-10,15-16,25H,11-14H2,1-2H3
InChIKeyTYRAARMFXVAORZ-UHFFFAOYSA-N
XLogP4.11
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole?
The IUPAC name of 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole (CID 170220573) is 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole is Cc1ccc(-c2nc3ccc(N4CCNCC4)cc3n2-c2ccnc(C)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole?
The InChIKey is TYRAARMFXVAORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-17-3-5-19(6-4-17)24-27-22-8-7-20(28-13-11-25-12-14-28)16-23(22)29(24)21-9-10-26-18(2)15-21/h3-10,15-16,25H,11-14H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole?
2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole has a molecular weight of 383.50 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(2-methyl-4-pyridinyl)-6-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 170220573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).