N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine

C102H91ClF6N24O2 — CID 159867102

IUPACN-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2cc(C)cc(-n3c(C)nc4ccccc43)n2)cc1.COc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.Cc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H23N5.C21H20N4O.C20H17F2N5O.C20H17F2N5.C19H14ClF2N5/c1-15-24-18-7-5-6-8-19(18)27(15)21-14-23-13-20(26-21)25-17-11-9-16(10-12-17)22(2,3)4;1-14-12-20(23-16-8-10-17(26-3)11-9-16)24-21(13-14)25-15(2)22-18-6-4-5-7-19(18)25;1-11-24-17-9-15(21)16(22)10-18(17)27(11)20-8-12(23)7-19(26-20)25-13-3-5-14(28-2)6-4-13;1-11-3-5-14(6-4-11)25-19-7-13(23)8-20(26-19)27-12(2)24-17-9-15(21)16(22)10-18(17)27;1-10-24-16-8-14(21)15(22)9-17(16)27(10)19-7-12(23)6-18(26-19)25-13-4-2-11(20)3-5-13/h5-14H,1-4H3,(H,25,26);4-13H,1-3H3,(H,23,24);3-10H,1-2H3,(H3,23,25,26);3-10H,1-2H3,(H3,23,25,26);2-9H,1H3,(H3,23,25,26)
InChIKeyNRWGAWKEGJYZBG-UHFFFAOYSA-N
MW1834.46 g/mol
LogP23.92
Rot. Bonds17

About N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine

N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine (PubChem CID 159867102) has the molecular formula C102H91ClF6N24O2 and a molecular weight of 1834.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine
PubChem CID159867102
Molecular FormulaC102H91ClF6N24O2
Molecular Weight1834.46 g/mol
Exact Mass1832.73
IUPAC NameN-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2cc(C)cc(-n3c(C)nc4ccccc43)n2)cc1.COc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.Cc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H23N5.C21H20N4O.C20H17F2N5O.C20H17F2N5.C19H14ClF2N5/c1-15-24-18-7-5-6-8-19(18)27(15)21-14-23-13-20(26-21)25-17-11-9-16(10-12-17)22(2,3)4;1-14-12-20(23-16-8-10-17(26-3)11-9-16)24-21(13-14)25-15(2)22-18-6-4-5-7-19(18)25;1-11-24-17-9-15(21)16(22)10-18(17)27(11)20-8-12(23)7-19(26-20)25-13-3-5-14(28-2)6-4-13;1-11-3-5-14(6-4-11)25-19-7-13(23)8-20(26-19)27-12(2)24-17-9-15(21)16(22)10-18(17)27;1-10-24-16-8-14(21)15(22)9-17(16)27(10)19-7-12(23)6-18(26-19)25-13-4-2-11(20)3-5-13/h5-14H,1-4H3,(H,25,26);4-13H,1-3H3,(H,23,24);3-10H,1-2H3,(H3,23,25,26);3-10H,1-2H3,(H3,23,25,26);2-9H,1H3,(H3,23,25,26)
InChIKeyNRWGAWKEGJYZBG-UHFFFAOYSA-N
XLogP23.92
TPSA323.11 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001834.46
LogP ≤ 523.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine (CID 159867102) is N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine is COc1ccc(Nc2cc(C)cc(-n3c(C)nc4ccccc43)n2)cc1.COc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.Cc1ccc(Nc2cc(N)cc(-n3c(C)nc4cc(F)c(F)cc43)n2)cc1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(Cl)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
The InChIKey is NRWGAWKEGJYZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5.C21H20N4O.C20H17F2N5O.C20H17F2N5.C19H14ClF2N5/c1-15-24-18-7-5-6-8-19(18)27(15)21-14-23-13-20(26-21)25-17-11-9-16(10-12-17)22(2,3)4;1-14-12-20(23-16-8-10-17(26-3)11-9-16)24-21(13-14)25-15(2)22-18-6-4-5-7-19(18)25;1-11-24-17-9-15(21)16(22)10-18(17)27(11)20-8-12(23)7-19(26-20)25-13-3-5-14(28-2)6-4-13;1-11-3-5-14(6-4-11)25-19-7-13(23)8-20(26-19)27-12(2)24-17-9-15(21)16(22)10-18(17)27;1-10-24-16-8-14(21)15(22)9-17(16)27(10)19-7-12(23)6-18(26-19)25-13-4-2-11(20)3-5-13/h5-14H,1-4H3,(H,25,26);4-13H,1-3H3,(H,23,24);3-10H,1-2H3,(H3,23,25,26);3-10H,1-2H3,(H3,23,25,26);2-9H,1H3,(H3,23,25,26).
What are the key properties of N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine has a molecular weight of 1834.46 g/mol, XLogP of 23.92, 17 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methoxyphenyl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine;N-(4-methoxyphenyl)-4-methyl-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 159867102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).