1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine

C120H111N27O10 — CID 159109048

About 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine

1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine (PubChem CID 159109048) has the molecular formula C120H111N27O10 and a molecular weight of 2091.39 g/mol. Its IUPAC name is 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine.

Molecular Properties

• Compound Name: 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine
• PubChem CID: 159109048
• Molecular Formula: C120H111N27O10
• Molecular Weight: 2091.39 g/mol
• Exact Mass: 2089.90
• IUPAC Name: 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine
• SMILES: CC(C)NC(N)c1ccc2nc(-c3ccc(-c4ccc(N)cc4)o3)[nH]c2c1.CC(C)NC(N)c1ccc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1.COc1ccc(-c2ccc(-c3ccc(C4=NCCN4)cc3)o2)cc1.Nc1ccc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)cc1.O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)cc1.[H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)[nH]2)cc1
• InChI: InChI=1S/C21H21N5O3.C21H23N5O.C20H15N5O3.C20H17N5O.C20H18N2O2.C18H17N5/c1-12(2)23-20(22)14-5-8-16-17(11-14)25-21(24-16)19-10-9-18(29-19)13-3-6-15(7-4-13)26(27)28;1-12(2)24-20(23)14-5-8-16-17(11-14)26-21(25-16)19-10-9-18(27-19)13-3-6-15(22)7-4-13;26-25(27)14-4-1-12(2-5-14)17-7-8-18(28-17)20-23-15-6-3-13(11-16(15)24-20)19-21-9-10-22-19;21-14-4-1-12(2-5-14)17-7-8-18(26-17)20-24-15-6-3-13(11-16(15)25-20)19-22-9-10-23-19;1-23-17-8-6-15(7-9-17)19-11-10-18(24-19)14-2-4-16(5-3-14)20-21-12-13-22-20;19-17(20)12-6-4-11(5-7-12)15-8-9-16(23-15)13-2-1-3-14(10-13)18(21)22/h3-12,20,23H,22H2,1-2H3,(H,24,25);3-12,20,24H,22-23H2,1-2H3,(H,25,26);1-8,11H,9-10H2,(H,21,22)(H,23,24);1-8,11H,9-10,21H2,(H,22,23)(H,24,25);2-11H,12-13H2,1H3,(H,21,22);1-10,23H,(H3,19,20)(H3,21,22)
• InChIKey: KEGCCHOQANCTDJ-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 592.77 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.39
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine?

The IUPAC name of 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine (CID 159109048) is 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine.

What is the SMILES notation for 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine?

The canonical SMILES for 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine is CC(C)NC(N)c1ccc2nc(-c3ccc(-c4ccc(N)cc4)o3)[nH]c2c1.CC(C)NC(N)c1ccc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1.COc1ccc(-c2ccc(-c3ccc(C4=NCCN4)cc3)o2)cc1.Nc1ccc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)cc1.O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)o2)cc1.[H]/N=C(\N)c1ccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)[nH]2)cc1.

What is the InChIKey of 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine?

The InChIKey is KEGCCHOQANCTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3.C21H23N5O.C20H15N5O3.C20H17N5O.C20H18N2O2.C18H17N5/c1-12(2)23-20(22)14-5-8-16-17(11-14)25-21(24-16)19-10-9-18(29-19)13-3-6-15(7-4-13)26(27)28;1-12(2)24-20(23)14-5-8-16-17(11-14)26-21(25-16)19-10-9-18(27-19)13-3-6-15(22)7-4-13;26-25(27)14-4-1-12(2-5-14)17-7-8-18(28-17)20-23-15-6-3-13(11-16(15)24-20)19-21-9-10-22-19;21-14-4-1-12(2-5-14)17-7-8-18(26-17)20-24-15-6-3-13(11-16(15)25-20)19-22-9-10-23-19;1-23-17-8-6-15(7-9-17)19-11-10-18(24-19)14-2-4-16(5-3-14)20-21-12-13-22-20;19-17(20)12-6-4-11(5-7-12)15-8-9-16(23-15)13-2-1-3-14(10-13)18(21)22/h3-12,20,23H,22H2,1-2H3,(H,24,25);3-12,20,24H,22-23H2,1-2H3,(H,25,26);1-8,11H,9-10H2,(H,21,22)(H,23,24);1-8,11H,9-10,21H2,(H,22,23)(H,24,25);2-11H,12-13H2,1H3,(H,21,22);1-10,23H,(H3,19,20)(H3,21,22).

What are the key properties of 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine?

1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine has a molecular weight of 2091.39 g/mol, XLogP of 22.44, 26 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine;3-[5-(4-carbamimidoylphenyl)-1H-pyrrol-2-yl]benzenecarboximidamide;4-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]furan-2-yl]aniline;6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole;2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole;1-[2-[5-(4-nitrophenyl)furan-2-yl]-3H-benzimidazol-5-yl]-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 159109048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).