5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen

C92H124N30O8 — CID 158028360

IUPAC5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen
SMILESC=CCNC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.COc1ccc(CNC(=O)c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)cc1.Cc1ccc2nc(-c3nc(C(=O)NCC(C)O)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCCc4ccccc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCc4ccco4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H20N6O2.C21H20N6O.C18H16N6O2.C16H18N6O2.C16H16N6O.17H2/c1-12-3-8-15-16(9-12)27-20(26-15)18-19(22)23-11-17(25-18)21(28)24-10-13-4-6-14(29-2)7-5-13;1-13-7-8-15-16(11-13)27-20(26-15)18-19(22)24-12-17(25-18)21(28)23-10-9-14-5-3-2-4-6-14;1-10-4-5-12-13(7-10)24-17(23-12)15-16(19)20-9-14(22-15)18(25)21-8-11-3-2-6-26-11;1-8-3-4-10-11(5-8)22-15(21-10)13-14(17)18-7-12(20-13)16(24)19-6-9(2)23;1-3-6-18-16(23)12-8-19-14(17)13(20-12)15-21-10-5-4-9(2)7-11(10)22-15;;;;;;;;;;;;;;;;;/h3-9,11H,10H2,1-2H3,(H2,22,23)(H,24,28)(H,26,27);2-8,11-12H,9-10H2,1H3,(H2,22,24)(H,23,28)(H,26,27);2-7,9H,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24);3-5,7,9,23H,6H2,1-2H3,(H2,17,18)(H,19,24)(H,21,22);3-5,7-8H,1,6H2,2H3,(H2,17,19)(H,18,23)(H,21,22);17*1H
InChIKeyFGWKRPBZXZNEAV-UHFFFAOYSA-N
MW1778.21 g/mol
LogP15.20
Rot. Bonds22

About 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen

5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 158028360) has the molecular formula C92H124N30O8 and a molecular weight of 1778.21 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID158028360
Molecular FormulaC92H124N30O8
Molecular Weight1778.21 g/mol
Exact Mass1777.02
IUPAC Name5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen
SMILESC=CCNC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.COc1ccc(CNC(=O)c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)cc1.Cc1ccc2nc(-c3nc(C(=O)NCC(C)O)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCCc4ccccc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCc4ccco4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C21H20N6O2.C21H20N6O.C18H16N6O2.C16H18N6O2.C16H16N6O.17H2/c1-12-3-8-15-16(9-12)27-20(26-15)18-19(22)23-11-17(25-18)21(28)24-10-13-4-6-14(29-2)7-5-13;1-13-7-8-15-16(11-13)27-20(26-15)18-19(22)24-12-17(25-18)21(28)23-10-9-14-5-3-2-4-6-14;1-10-4-5-12-13(7-10)24-17(23-12)15-16(19)20-9-14(22-15)18(25)21-8-11-3-2-6-26-11;1-8-3-4-10-11(5-8)22-15(21-10)13-14(17)18-7-12(20-13)16(24)19-6-9(2)23;1-3-6-18-16(23)12-8-19-14(17)13(20-12)15-21-10-5-4-9(2)7-11(10)22-15;;;;;;;;;;;;;;;;;/h3-9,11H,10H2,1-2H3,(H2,22,23)(H,24,28)(H,26,27);2-8,11-12H,9-10H2,1H3,(H2,22,24)(H,23,28)(H,26,27);2-7,9H,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24);3-5,7,9,23H,6H2,1-2H3,(H2,17,18)(H,19,24)(H,21,22);3-5,7-8H,1,6H2,2H3,(H2,17,19)(H,18,23)(H,21,22);17*1H
InChIKeyFGWKRPBZXZNEAV-UHFFFAOYSA-N
XLogP15.20
TPSA590.50 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.21
LogP ≤ 515.20
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen (CID 158028360) is 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen is C=CCNC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.COc1ccc(CNC(=O)c2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)cc1.Cc1ccc2nc(-c3nc(C(=O)NCC(C)O)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCCc4ccccc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(C(=O)NCc4ccco4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is FGWKRPBZXZNEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.C21H20N6O.C18H16N6O2.C16H18N6O2.C16H16N6O.17H2/c1-12-3-8-15-16(9-12)27-20(26-15)18-19(22)23-11-17(25-18)21(28)24-10-13-4-6-14(29-2)7-5-13;1-13-7-8-15-16(11-13)27-20(26-15)18-19(22)24-12-17(25-18)21(28)23-10-9-14-5-3-2-4-6-14;1-10-4-5-12-13(7-10)24-17(23-12)15-16(19)20-9-14(22-15)18(25)21-8-11-3-2-6-26-11;1-8-3-4-10-11(5-8)22-15(21-10)13-14(17)18-7-12(20-13)16(24)19-6-9(2)23;1-3-6-18-16(23)12-8-19-14(17)13(20-12)15-21-10-5-4-9(2)7-11(10)22-15;;;;;;;;;;;;;;;;;/h3-9,11H,10H2,1-2H3,(H2,22,23)(H,24,28)(H,26,27);2-8,11-12H,9-10H2,1H3,(H2,22,24)(H,23,28)(H,26,27);2-7,9H,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24);3-5,7,9,23H,6H2,1-2H3,(H2,17,18)(H,19,24)(H,21,22);3-5,7-8H,1,6H2,2H3,(H2,17,19)(H,18,23)(H,21,22);17*1H.
What are the key properties of 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen?
5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 1778.21 g/mol, XLogP of 15.20, 22 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(furan-2-ylmethyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-(2-hydroxypropyl)-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-N-[(4-methoxyphenyl)methyl]-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(2-phenylethyl)pyrazine-2-carboxamide;5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-prop-2-enylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158028360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).