1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole

C18H20N4 — CID 59568337

IUPAC1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
SMILESCn1c(-c2cccc(N3CCNCC3)c2)nc2ccccc21
InChIInChI=1S/C18H20N4/c1-21-17-8-3-2-7-16(17)20-18(21)14-5-4-6-15(13-14)22-11-9-19-10-12-22/h2-8,13,19H,9-12H2,1H3
InChIKeyJVOPPQHWGAHORU-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.65
Rot. Bonds2

About 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole

1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole (PubChem CID 59568337) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
PubChem CID59568337
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
SMILESCn1c(-c2cccc(N3CCNCC3)c2)nc2ccccc21
InChIInChI=1S/C18H20N4/c1-21-17-8-3-2-7-16(17)20-18(21)14-5-4-6-15(13-14)22-11-9-19-10-12-22/h2-8,13,19H,9-12H2,1H3
InChIKeyJVOPPQHWGAHORU-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole?
The IUPAC name of 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole (CID 59568337) is 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole is Cn1c(-c2cccc(N3CCNCC3)c2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole?
The InChIKey is JVOPPQHWGAHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-17-8-3-2-7-16(17)20-18(21)14-5-4-6-15(13-14)22-11-9-19-10-12-22/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole?
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole has a molecular weight of 292.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole is sourced from PubChem (CID 59568337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).