benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

C86H110Cl5N41O11S — CID 159006802

About benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (PubChem CID 159006802) has the molecular formula C86H110Cl5N41O11S and a molecular weight of 2103.43 g/mol. Its IUPAC name is benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
• PubChem CID: 159006802
• Molecular Formula: C86H110Cl5N41O11S
• Molecular Weight: 2103.43 g/mol
• Exact Mass: 2099.75
• IUPAC Name: benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
• SMILES: NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)OCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl
• InChI: InChI=1S/C19H24ClN9O2.C19H23ClN8O3.C19H23ClN8O2.C18H23ClN8O3S.C11H17ClN8O/c20-14-16(22)28-15(21)13(27-14)17(30)29-18-24-10-12(26-18)7-4-8-23-19(31)25-9-11-5-2-1-3-6-11;20-14-16(22)27-15(21)13(26-14)17(29)28-18-24-9-12(25-18)7-4-8-23-19(30)31-10-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(30)28-19-24-10-12(25-19)7-4-8-23-13(29)9-11-5-2-1-3-6-11;19-14-16(21)26-15(20)13(25-14)17(28)27-18-22-9-12(24-18)7-4-8-23-31(29,30)10-11-5-2-1-3-6-11;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h1-3,5-6,12H,4,7-10H2,(H4,21,22,28)(H2,23,25,31)(H2,24,26,29,30);1-3,5-6,12H,4,7-10H2,(H,23,30)(H4,21,22,27)(H2,24,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,29)(H4,21,22,27)(H2,24,25,28,30);1-3,5-6,12,23H,4,7-10H2,(H4,20,21,26)(H2,22,24,27,28);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t4*12-;5-/m00000/s1
• InChIKey: JSAFBIVIKFRQNP-JFUWCOFASA-N
• XLogP: 1.52
• TPSA: 837.30 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2103.43
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The IUPAC name of benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (CID 159006802) is benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)OCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl.

What is the InChIKey of benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The InChIKey is JSAFBIVIKFRQNP-JFUWCOFASA-N. The full InChI is InChI=1S/C19H24ClN9O2.C19H23ClN8O3.C19H23ClN8O2.C18H23ClN8O3S.C11H17ClN8O/c20-14-16(22)28-15(21)13(27-14)17(30)29-18-24-10-12(26-18)7-4-8-23-19(31)25-9-11-5-2-1-3-6-11;20-14-16(22)27-15(21)13(26-14)17(29)28-18-24-9-12(25-18)7-4-8-23-19(30)31-10-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(30)28-19-24-10-12(25-19)7-4-8-23-13(29)9-11-5-2-1-3-6-11;19-14-16(21)26-15(20)13(25-14)17(28)27-18-22-9-12(24-18)7-4-8-23-31(29,30)10-11-5-2-1-3-6-11;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h1-3,5-6,12H,4,7-10H2,(H4,21,22,28)(H2,23,25,31)(H2,24,26,29,30);1-3,5-6,12H,4,7-10H2,(H,23,30)(H4,21,22,27)(H2,24,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,29)(H4,21,22,27)(H2,24,25,28,30);1-3,5-6,12,23H,4,7-10H2,(H4,20,21,26)(H2,22,24,27,28);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t4*12-;5-/m00000/s1.

What are the key properties of benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 2103.43 g/mol, XLogP of 1.52, 33 rotatable bonds, 26 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159006802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).