2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C35H25ClF6N10 — CID 157472676

IUPAC2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-n3c(Cl)nc4ccccc43)n2)cc1.Nc1ccccc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H11ClF3N5.C17H14F3N5/c19-17-25-13-3-1-2-4-14(13)27(17)16-10-23-9-15(26-16)24-12-7-5-11(6-8-12)18(20,21)22;18-17(19,20)11-5-7-12(8-6-11)23-15-9-22-10-16(25-15)24-14-4-2-1-3-13(14)21/h1-10H,(H,24,26);1-10H,21H2,(H2,23,24,25)
InChIKeyBVFOTDSOLYQPPK-UHFFFAOYSA-N
MW735.10 g/mol
LogP9.80
Rot. Bonds7

About 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 157472676) has the molecular formula C35H25ClF6N10 and a molecular weight of 735.10 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID157472676
Molecular FormulaC35H25ClF6N10
Molecular Weight735.10 g/mol
Exact Mass734.19
IUPAC Name2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-n3c(Cl)nc4ccccc43)n2)cc1.Nc1ccccc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H11ClF3N5.C17H14F3N5/c19-17-25-13-3-1-2-4-14(13)27(17)16-10-23-9-15(26-16)24-12-7-5-11(6-8-12)18(20,21)22;18-17(19,20)11-5-7-12(8-6-11)23-15-9-22-10-16(25-15)24-14-4-2-1-3-13(14)21/h1-10H,(H,24,26);1-10H,21H2,(H2,23,24,25)
InChIKeyBVFOTDSOLYQPPK-UHFFFAOYSA-N
XLogP9.80
TPSA131.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.10
LogP ≤ 59.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 157472676) is 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is FC(F)(F)c1ccc(Nc2cncc(-n3c(Cl)nc4ccccc43)n2)cc1.Nc1ccccc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is BVFOTDSOLYQPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5.C17H14F3N5/c19-17-25-13-3-1-2-4-14(13)27(17)16-10-23-9-15(26-16)24-12-7-5-11(6-8-12)18(20,21)22;18-17(19,20)11-5-7-12(8-6-11)23-15-9-22-10-16(25-15)24-14-4-2-1-3-13(14)21/h1-10H,(H,24,26);1-10H,21H2,(H2,23,24,25).
What are the key properties of 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 735.10 g/mol, XLogP of 9.80, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 157472676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).