1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

C84H84N28O7 — CID 157451886

About 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 157451886) has the molecular formula C84H84N28O7 and a molecular weight of 1597.78 g/mol. Its IUPAC name is 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
• PubChem CID: 157451886
• Molecular Formula: C84H84N28O7
• Molecular Weight: 1597.78 g/mol
• Exact Mass: 1596.71
• IUPAC Name: 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
• SMILES: CCNC(=O)Nc1nc2c(-c3cc(OCCOC)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C#N)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)CC(C)C)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cn(C)cn3)cc(-c3cccnc3)cc2[nH]1
• InChI: InChI=1S/C23H25N7O2.C23H24N6O3.C19H16N8O.C19H19N7O/c1-4-24-23(32)29-22-27-18-11-15(30-12-19(26-13-30)20(31)9-14(2)3)10-16(21(18)28-22)17-7-5-6-8-25-17;1-3-25-23(30)29-22-27-20-12-16(15-5-4-7-24-14-15)11-18(21(20)28-22)19-13-17(6-8-26-19)32-10-9-31-2;1-2-21-19(28)26-18-24-16-8-13(27-10-12(9-20)23-11-27)7-14(17(16)25-18)15-5-3-4-6-22-15;1-3-21-19(27)25-18-23-15-8-13(12-5-4-6-20-9-12)7-14(17(15)24-18)16-10-26(2)11-22-16/h5-8,10-14H,4,9H2,1-3H3,(H3,24,27,28,29,32);4-8,11-14H,3,9-10H2,1-2H3,(H3,25,27,28,29,30);3-8,10-11H,2H2,1H3,(H3,21,24,25,26,28);4-11H,3H2,1-2H3,(H3,21,23,24,25,27)
• InChIKey: BSWZRXCPPUIPBP-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 456.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1597.78
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

The IUPAC name of 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 157451886) is 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

What is the SMILES notation for 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

The canonical SMILES for 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3cc(OCCOC)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C#N)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)CC(C)C)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3cn(C)cn3)cc(-c3cccnc3)cc2[nH]1.

What is the InChIKey of 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

The InChIKey is BSWZRXCPPUIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2.C23H24N6O3.C19H16N8O.C19H19N7O/c1-4-24-23(32)29-22-27-18-11-15(30-12-19(26-13-30)20(31)9-14(2)3)10-16(21(18)28-22)17-7-5-6-8-25-17;1-3-25-23(30)29-22-27-20-12-16(15-5-4-7-24-14-15)11-18(21(20)28-22)19-13-17(6-8-26-19)32-10-9-31-2;1-2-21-19(28)26-18-24-16-8-13(27-10-12(9-20)23-11-27)7-14(17(16)25-18)15-5-3-4-6-22-15;1-3-21-19(27)25-18-23-15-8-13(12-5-4-6-20-9-12)7-14(17(15)24-18)16-10-26(2)11-22-16/h5-8,10-14H,4,9H2,1-3H3,(H3,24,27,28,29,32);4-8,11-14H,3,9-10H2,1-2H3,(H3,25,27,28,29,30);3-8,10-11H,2H2,1H3,(H3,21,24,25,26,28);4-11H,3H2,1-2H3,(H3,21,23,24,25,27).

What are the key properties of 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1597.78 g/mol, XLogP of 14.02, 23 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-cyanoimidazol-1-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-[4-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[4-(3-methylbutanoyl)imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(1-methylimidazol-4-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 157451886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).