4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol

C88H80Cl6N30O6 — CID 158681220

About 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol

4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol (PubChem CID 158681220) has the molecular formula C88H80Cl6N30O6 and a molecular weight of 1866.53 g/mol. Its IUPAC name is 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol.

Molecular Properties

• Compound Name: 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol
• PubChem CID: 158681220
• Molecular Formula: C88H80Cl6N30O6
• Molecular Weight: 1866.53 g/mol
• Exact Mass: 1862.50
• IUPAC Name: 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol
• SMILES: Cc1cnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)[nH]1.Cc1cnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)[nH]1.Cc1cnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)n1C.Cc1nc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)[nH]c1C.Cc1nc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)n(C)c1C.Cc1nccn1-c1nc(N)cnc1-c1ccc(O)c(Cl)c1
• InChI: InChI=1S/C16H16ClN5O.2C15H14ClN5O.3C14H12ClN5O/c1-8-9(2)22(3)16(20-8)15-14(19-7-13(18)21-15)10-4-5-12(23)11(17)6-10;1-8-6-19-15(21(8)2)14-13(18-7-12(17)20-14)9-3-4-11(22)10(16)5-9;1-7-8(2)20-15(19-7)14-13(18-6-12(17)21-14)9-3-4-11(22)10(16)5-9;2*1-7-5-18-14(19-7)13-12(17-6-11(16)20-13)8-2-3-10(21)9(15)4-8;1-8-17-4-5-20(8)14-13(18-7-12(16)19-14)9-2-3-11(21)10(15)6-9/h4-7,23H,1-3H3,(H2,18,21);3-7,22H,1-2H3,(H2,17,20);3-6,22H,1-2H3,(H2,17,21)(H,19,20);2*2-6,21H,1H3,(H2,16,20)(H,18,19);2-7,21H,1H3,(H2,16,19)
• InChIKey: IFDPKRRRXUNDST-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 571.68 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1866.53
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol?

The IUPAC name of 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol (CID 158681220) is 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol.

What is the SMILES notation for 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol?

The canonical SMILES for 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol is Cc1cnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)[nH]1.Cc1cnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)[nH]1.Cc1cnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)n1C.Cc1nc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)[nH]c1C.Cc1nc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)n(C)c1C.Cc1nccn1-c1nc(N)cnc1-c1ccc(O)c(Cl)c1.

What is the InChIKey of 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol?

The InChIKey is IFDPKRRRXUNDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O.2C15H14ClN5O.3C14H12ClN5O/c1-8-9(2)22(3)16(20-8)15-14(19-7-13(18)21-15)10-4-5-12(23)11(17)6-10;1-8-6-19-15(21(8)2)14-13(18-7-12(17)20-14)9-3-4-11(22)10(16)5-9;1-7-8(2)20-15(19-7)14-13(18-6-12(17)21-14)9-3-4-11(22)10(16)5-9;2*1-7-5-18-14(19-7)13-12(17-6-11(16)20-13)8-2-3-10(21)9(15)4-8;1-8-17-4-5-20(8)14-13(18-7-12(16)19-14)9-2-3-11(21)10(15)6-9/h4-7,23H,1-3H3,(H2,18,21);3-7,22H,1-2H3,(H2,17,20);3-6,22H,1-2H3,(H2,17,21)(H,19,20);2*2-6,21H,1H3,(H2,16,20)(H,18,19);2-7,21H,1H3,(H2,16,19).

What are the key properties of 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol?

4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol has a molecular weight of 1866.53 g/mol, XLogP of 17.13, 12 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-3-(1,5-dimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylimidazol-1-yl)pyrazin-2-yl]-2-chlorophenol;bis(4-[5-amino-3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]-2-chlorophenol);4-[5-amino-3-(1,4,5-trimethylimidazol-2-yl)pyrazin-2-yl]-2-chlorophenol is sourced from PubChem (CID 158681220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).