1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C86H60Cl4F21N23O5 — CID 162081839

IUPAC1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1ccc(N)cc1.Cc1nc2cc(OC(F)(F)F)ccc2n1-c1cncc(Cl)n1.Cc1nc2cc(OC(F)(F)F)ccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(OC(F)(F)F)cc2[nH]1.Cc1nc2ccc(OC(F)(F)F)cc2n1-c1cncc(Cl)n1.Cc1nc2ccc(OC(F)(F)F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1
InChIInChI=1S/2C20H13F6N5O.2C13H8ClF3N4O.C9H7F3N2O.C7H9N.C4H2Cl2N2/c1-11-28-15-8-14(32-20(24,25)26)6-7-16(15)31(11)18-10-27-9-17(30-18)29-13-4-2-12(3-5-13)19(21,22)23;1-11-28-15-7-6-14(32-20(24,25)26)8-16(15)31(11)18-10-27-9-17(30-18)29-13-4-2-12(3-5-13)19(21,22)23;1-7-19-9-4-8(22-13(15,16)17)2-3-10(9)21(7)12-6-18-5-11(14)20-12;1-7-19-9-3-2-8(22-13(15,16)17)4-10(9)21(7)12-6-18-5-11(14)20-12;1-5-13-7-3-2-6(4-8(7)14-5)15-9(10,11)12;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3/h2*2-10H,1H3,(H,29,30);2*2-6H,1H3;2-4H,1H3,(H,13,14);2-5H,8H2,1H3;1-2H
InChIKeyZCLGHCHRSSIROH-UHFFFAOYSA-N
MW2036.35 g/mol
LogP25.05
Rot. Bonds13

About 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 162081839) has the molecular formula C86H60Cl4F21N23O5 and a molecular weight of 2036.35 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID162081839
Molecular FormulaC86H60Cl4F21N23O5
Molecular Weight2036.35 g/mol
Exact Mass2033.36
IUPAC Name1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1ccc(N)cc1.Cc1nc2cc(OC(F)(F)F)ccc2n1-c1cncc(Cl)n1.Cc1nc2cc(OC(F)(F)F)ccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(OC(F)(F)F)cc2[nH]1.Cc1nc2ccc(OC(F)(F)F)cc2n1-c1cncc(Cl)n1.Cc1nc2ccc(OC(F)(F)F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1
InChIInChI=1S/2C20H13F6N5O.2C13H8ClF3N4O.C9H7F3N2O.C7H9N.C4H2Cl2N2/c1-11-28-15-8-14(32-20(24,25)26)6-7-16(15)31(11)18-10-27-9-17(30-18)29-13-4-2-12(3-5-13)19(21,22)23;1-11-28-15-7-6-14(32-20(24,25)26)8-16(15)31(11)18-10-27-9-17(30-18)29-13-4-2-12(3-5-13)19(21,22)23;1-7-19-9-4-8(22-13(15,16)17)2-3-10(9)21(7)12-6-18-5-11(14)20-12;1-7-19-9-3-2-8(22-13(15,16)17)4-10(9)21(7)12-6-18-5-11(14)20-12;1-5-13-7-3-2-6(4-8(7)14-5)15-9(10,11)12;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3/h2*2-10H,1H3,(H,29,30);2*2-6H,1H3;2-4H,1H3,(H,13,14);2-5H,8H2,1H3;1-2H
InChIKeyZCLGHCHRSSIROH-UHFFFAOYSA-N
XLogP25.05
TPSA325.09 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds13
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002036.35
LogP ≤ 525.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 162081839) is 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1ccc(N)cc1.Cc1nc2cc(OC(F)(F)F)ccc2n1-c1cncc(Cl)n1.Cc1nc2cc(OC(F)(F)F)ccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(OC(F)(F)F)cc2[nH]1.Cc1nc2ccc(OC(F)(F)F)cc2n1-c1cncc(Cl)n1.Cc1nc2ccc(OC(F)(F)F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.
What is the InChIKey of 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is ZCLGHCHRSSIROH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13F6N5O.2C13H8ClF3N4O.C9H7F3N2O.C7H9N.C4H2Cl2N2/c1-11-28-15-8-14(32-20(24,25)26)6-7-16(15)31(11)18-10-27-9-17(30-18)29-13-4-2-12(3-5-13)19(21,22)23;1-11-28-15-7-6-14(32-20(24,25)26)8-16(15)31(11)18-10-27-9-17(30-18)29-13-4-2-12(3-5-13)19(21,22)23;1-7-19-9-4-8(22-13(15,16)17)2-3-10(9)21(7)12-6-18-5-11(14)20-12;1-7-19-9-3-2-8(22-13(15,16)17)4-10(9)21(7)12-6-18-5-11(14)20-12;1-5-13-7-3-2-6(4-8(7)14-5)15-9(10,11)12;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3/h2*2-10H,1H3,(H,29,30);2*2-6H,1H3;2-4H,1H3,(H,13,14);2-5H,8H2,1H3;1-2H.
What are the key properties of 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 2036.35 g/mol, XLogP of 25.05, 13 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazin-2-yl)-2-methyl-5-(trifluoromethoxy)benzimidazole;1-(6-chloropyrazin-2-yl)-2-methyl-6-(trifluoromethoxy)benzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-6-(trifluoromethoxy)-1H-benzimidazole;6-[2-methyl-5-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethoxy)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 162081839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).