3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

C113H144Cl6N44O13S2 — CID 161262901

About 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (PubChem CID 161262901) has the molecular formula C113H144Cl6N44O13S2 and a molecular weight of 2603.54 g/mol. Its IUPAC name is 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
• PubChem CID: 161262901
• Molecular Formula: C113H144Cl6N44O13S2
• Molecular Weight: 2603.54 g/mol
• Exact Mass: 2598.95
• IUPAC Name: 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
• SMILES: CN1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl
• InChI: InChI=1S/C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O/c22-17-19(24)28-18(23)16(27-17)20(31)29-21-25-12-14(26-21)9-5-2-6-10-15(30)11-13-7-3-1-4-8-13;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-14(30)24-10-12-6-2-1-3-7-12;21-16-18(23)27-17(22)15(26-16)19(29)28-20-24-11-14(25-20)9-5-2-6-10-32(30,31)12-13-7-3-1-4-8-13;21-16-18(23)27-17(22)15(26-16)19(30)28-20-24-11-13(25-20)8-4-5-9-14(29)10-12-6-2-1-3-7-12;20-15-17(22)26-16(21)14(25-15)18(28)27-19-23-10-13(24-19)8-4-5-9-31(29,30)11-12-6-2-1-3-7-12;1-22-4-2-13(3-5-22)6-17-12(21-13)20-11(23)7-9(15)19-10(16)8(14)18-7/h1,3-4,7-8,14H,2,5-6,9-12H2,(H4,23,24,28)(H2,25,26,29,31);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,22,23,27)(H2,24,25,28,29);1-3,6-7,13H,4-5,8-11H2,(H4,22,23,27)(H2,24,25,28,30);1-3,6-7,13H,4-5,8-11H2,(H4,21,22,26)(H2,23,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23)/t14-;13-;14-;2*13-;/m00000./s1
• InChIKey: VCUILAJTHXFUPY-WNQGBXRFSA-N
• XLogP: 7.18
• TPSA: 922.62 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 50
• Rotatable Bonds: 43
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2603.54
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (CID 161262901) is 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is CN1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.

What is the InChIKey of 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The InChIKey is VCUILAJTHXFUPY-WNQGBXRFSA-N. The full InChI is InChI=1S/C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O/c22-17-19(24)28-18(23)16(27-17)20(31)29-21-25-12-14(26-21)9-5-2-6-10-15(30)11-13-7-3-1-4-8-13;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-14(30)24-10-12-6-2-1-3-7-12;21-16-18(23)27-17(22)15(26-16)19(29)28-20-24-11-14(25-20)9-5-2-6-10-32(30,31)12-13-7-3-1-4-8-13;21-16-18(23)27-17(22)15(26-16)19(30)28-20-24-11-13(25-20)8-4-5-9-14(29)10-12-6-2-1-3-7-12;20-15-17(22)26-16(21)14(25-15)18(28)27-19-23-10-13(24-19)8-4-5-9-31(29,30)11-12-6-2-1-3-7-12;1-22-4-2-13(3-5-22)6-17-12(21-13)20-11(23)7-9(15)19-10(16)8(14)18-7/h1,3-4,7-8,14H,2,5-6,9-12H2,(H4,23,24,28)(H2,25,26,29,31);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,22,23,27)(H2,24,25,28,29);1-3,6-7,13H,4-5,8-11H2,(H4,22,23,27)(H2,24,25,28,30);1-3,6-7,13H,4-5,8-11H2,(H4,21,22,26)(H2,23,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23)/t14-;13-;14-;2*13-;/m00000./s1.

What are the key properties of 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 2603.54 g/mol, XLogP of 7.18, 43 rotatable bonds, 25 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 161262901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).