1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole

C13H15F3N4 — CID 91474123

IUPAC1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole
SMILESCN1CCN(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C13H15F3N4/c1-18-4-6-19(7-5-18)20-9-17-11-8-10(13(14,15)16)2-3-12(11)20/h2-3,8-9H,4-7H2,1H3
InChIKeyOEFOPBPSUSSWEA-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.94
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole

1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 91474123) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID91474123
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole
SMILESCN1CCN(n2cnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C13H15F3N4/c1-18-4-6-19(7-5-18)20-9-17-11-8-10(13(14,15)16)2-3-12(11)20/h2-3,8-9H,4-7H2,1H3
InChIKeyOEFOPBPSUSSWEA-UHFFFAOYSA-N
XLogP1.94
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole (CID 91474123) is 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole is CN1CCN(n2cnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is OEFOPBPSUSSWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-18-4-6-19(7-5-18)20-9-17-11-8-10(13(14,15)16)2-3-12(11)20/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole?
1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 284.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 91474123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).