N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C93H63F22N27O4+2 — CID 158970544

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCC1=[N+](c2cncc(Nc3ccc(OC(F)F)nc3)n2)C2C=C(F)C=CC2=N1.FC(F)Oc1ccc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)cc1.FC(F)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.FC1=CC2C(=NC(C(F)F)=[N+]2c2cncc(Nc3ccc(OC(F)F)nc3)n2)C=C1.Fc1cc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)ccc1OC(F)F
InChIInChI=1S/C19H12F5N5O.C19H12F5N5.C19H13F4N5O.C18H12F5N6O.C18H14F3N6O/c20-11-7-10(5-6-14(11)30-19(23)24)26-15-8-25-9-16(28-15)29-13-4-2-1-3-12(13)27-18(29)17(21)22;20-17(21)18-27-13-3-1-2-4-14(13)29(18)16-10-25-9-15(28-16)26-12-7-5-11(6-8-12)19(22,23)24;20-17(21)18-26-13-3-1-2-4-14(13)28(18)16-10-24-9-15(27-16)25-11-5-7-12(8-6-11)29-19(22)23;19-9-1-3-11-12(5-9)29(17(27-11)16(20)21)14-8-24-7-13(28-14)26-10-2-4-15(25-6-10)30-18(22)23;1-10-24-13-4-2-11(19)6-14(13)27(10)16-9-22-8-15(26-16)25-12-3-5-17(23-7-12)28-18(20)21/h1-9,17,19H,(H,26,28);1-10,17H,(H,26,28);1-10,17,19H,(H,25,27);1-8,12,16,18H,(H,26,28);2-9,14,18H,1H3,(H,25,26)/q;;;2*+1
InChIKeyLVHJQGKYXRKQLF-UHFFFAOYSA-N
MW2040.67 g/mol
LogP23.15
Rot. Bonds27

About N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 158970544) has the molecular formula C93H63F22N27O4+2 and a molecular weight of 2040.67 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID158970544
Molecular FormulaC93H63F22N27O4+2
Molecular Weight2040.67 g/mol
Exact Mass2039.52
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCC1=[N+](c2cncc(Nc3ccc(OC(F)F)nc3)n2)C2C=C(F)C=CC2=N1.FC(F)Oc1ccc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)cc1.FC(F)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.FC1=CC2C(=NC(C(F)F)=[N+]2c2cncc(Nc3ccc(OC(F)F)nc3)n2)C=C1.Fc1cc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)ccc1OC(F)F
InChIInChI=1S/C19H12F5N5O.C19H12F5N5.C19H13F4N5O.C18H12F5N6O.C18H14F3N6O/c20-11-7-10(5-6-14(11)30-19(23)24)26-15-8-25-9-16(28-15)29-13-4-2-1-3-12(13)27-18(29)17(21)22;20-17(21)18-27-13-3-1-2-4-14(13)29(18)16-10-25-9-15(28-16)26-12-7-5-11(6-8-12)19(22,23)24;20-17(21)18-26-13-3-1-2-4-14(13)28(18)16-10-24-9-15(27-16)25-11-5-7-12(8-6-11)29-19(22)23;19-9-1-3-11-12(5-9)29(17(27-11)16(20)21)14-8-24-7-13(28-14)26-10-2-4-15(25-6-10)30-18(22)23;1-10-24-13-4-2-11(19)6-14(13)27(10)16-9-22-8-15(26-16)25-12-3-5-17(23-7-12)28-18(20)21/h1-9,17,19H,(H,26,28);1-10,17H,(H,26,28);1-10,17,19H,(H,25,27);1-8,12,16,18H,(H,26,28);2-9,14,18H,1H3,(H,25,26)/q;;;2*+1
InChIKeyLVHJQGKYXRKQLF-UHFFFAOYSA-N
XLogP23.15
TPSA335.95 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002040.67
LogP ≤ 523.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 158970544) is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CC1=[N+](c2cncc(Nc3ccc(OC(F)F)nc3)n2)C2C=C(F)C=CC2=N1.FC(F)Oc1ccc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)cc1.FC(F)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.FC1=CC2C(=NC(C(F)F)=[N+]2c2cncc(Nc3ccc(OC(F)F)nc3)n2)C=C1.Fc1cc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is LVHJQGKYXRKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N5O.C19H12F5N5.C19H13F4N5O.C18H12F5N6O.C18H14F3N6O/c20-11-7-10(5-6-14(11)30-19(23)24)26-15-8-25-9-16(28-15)29-13-4-2-1-3-12(13)27-18(29)17(21)22;20-17(21)18-27-13-3-1-2-4-14(13)29(18)16-10-25-9-15(28-16)26-12-7-5-11(6-8-12)19(22,23)24;20-17(21)18-26-13-3-1-2-4-14(13)28(18)16-10-24-9-15(27-16)25-11-5-7-12(8-6-11)29-19(22)23;19-9-1-3-11-12(5-9)29(17(27-11)16(20)21)14-8-24-7-13(28-14)26-10-2-4-15(25-6-10)30-18(22)23;1-10-24-13-4-2-11(19)6-14(13)27(10)16-9-22-8-15(26-16)25-12-3-5-17(23-7-12)28-18(20)21/h1-9,17,19H,(H,26,28);1-10,17H,(H,26,28);1-10,17,19H,(H,25,27);1-8,12,16,18H,(H,26,28);2-9,14,18H,1H3,(H,25,26)/q;;;2*+1.
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 2040.67 g/mol, XLogP of 23.15, 27 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 158970544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).