3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine

C17H18F3N7 — CID 46199405

IUPAC3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine
SMILESCc1ccc2nc(-c3nc(N4CCN(C(F)(F)F)CC4)cnc3N)[nH]c2c1
InChIInChI=1S/C17H18F3N7/c1-10-2-3-11-12(8-10)24-16(23-11)14-15(21)22-9-13(25-14)26-4-6-27(7-5-26)17(18,19)20/h2-3,8-9H,4-7H2,1H3,(H2,21,22)(H,23,24)
InChIKeyVPFLFWPJIRNGRS-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.55
Rot. Bonds2

About 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine

3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine (PubChem CID 46199405) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine
PubChem CID46199405
Molecular FormulaC17H18F3N7
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC Name3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine
SMILESCc1ccc2nc(-c3nc(N4CCN(C(F)(F)F)CC4)cnc3N)[nH]c2c1
InChIInChI=1S/C17H18F3N7/c1-10-2-3-11-12(8-10)24-16(23-11)14-15(21)22-9-13(25-14)26-4-6-27(7-5-26)17(18,19)20/h2-3,8-9H,4-7H2,1H3,(H2,21,22)(H,23,24)
InChIKeyVPFLFWPJIRNGRS-UHFFFAOYSA-N
XLogP2.55
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine (CID 46199405) is 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine is Cc1ccc2nc(-c3nc(N4CCN(C(F)(F)F)CC4)cnc3N)[nH]c2c1.
What is the InChIKey of 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine?
The InChIKey is VPFLFWPJIRNGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7/c1-10-2-3-11-12(8-10)24-16(23-11)14-15(21)22-9-13(25-14)26-4-6-27(7-5-26)17(18,19)20/h2-3,8-9H,4-7H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine?
3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine has a molecular weight of 377.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 46199405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).