1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one

C136H117ClF4N36O12 — CID 161314462

About 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one

1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one (PubChem CID 161314462) has the molecular formula C136H117ClF4N36O12 and a molecular weight of 2559.12 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one
• PubChem CID: 161314462
• Molecular Formula: C136H117ClF4N36O12
• Molecular Weight: 2559.12 g/mol
• Exact Mass: 2556.93
• IUPAC Name: 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one
• SMILES: CCOC(=O)c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.COc1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.N#Cc1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.NC(=O)c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.O=C1N(c2ccccc2)CCN1c1nc2ccc(C(F)(F)F)cc2[nH]1.O=C1N(c2ccccc2)CCN1c1nc2ccc(Cl)cc2[nH]1.O=C1N(c2ccccc2)CCN1c1nc2ccc(F)cc2[nH]1.[H]/N=C(\N)c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1
• InChI: InChI=1S/C19H18N4O3.C17H13F3N4O.C17H16N6O.C17H15N5O2.C17H13N5O.C17H16N4O2.C16H13ClN4O.C16H13FN4O/c1-2-26-17(24)13-8-9-15-16(12-13)21-18(20-15)23-11-10-22(19(23)25)14-6-4-3-5-7-14;18-17(19,20)11-6-7-13-14(10-11)22-15(21-13)24-9-8-23(16(24)25)12-4-2-1-3-5-12;18-15(19)11-6-7-13-14(10-11)21-16(20-13)23-9-8-22(17(23)24)12-4-2-1-3-5-12;18-15(23)11-6-7-13-14(10-11)20-16(19-13)22-9-8-21(17(22)24)12-4-2-1-3-5-12;18-11-12-6-7-14-15(10-12)20-16(19-14)22-9-8-21(17(22)23)13-4-2-1-3-5-13;1-23-13-7-8-14-15(11-13)19-16(18-14)21-10-9-20(17(21)22)12-5-3-2-4-6-12;2*17-11-6-7-13-14(10-11)19-15(18-13)21-9-8-20(16(21)22)12-4-2-1-3-5-12/h3-9,12H,2,10-11H2,1H3,(H,20,21);1-7,10H,8-9H2,(H,21,22);1-7,10H,8-9H2,(H3,18,19)(H,20,21);1-7,10H,8-9H2,(H2,18,23)(H,19,20);1-7,10H,8-9H2,(H,19,20);2-8,11H,9-10H2,1H3,(H,18,19);2*1-7,10H,8-9H2,(H,18,19)
• InChIKey: VJHWNVGKSWXRDU-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 570.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2559.12
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one?

The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one (CID 161314462) is 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one.

What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one?

The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one is CCOC(=O)c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.COc1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.N#Cc1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.NC(=O)c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.O=C1N(c2ccccc2)CCN1c1nc2ccc(C(F)(F)F)cc2[nH]1.O=C1N(c2ccccc2)CCN1c1nc2ccc(Cl)cc2[nH]1.O=C1N(c2ccccc2)CCN1c1nc2ccc(F)cc2[nH]1.[H]/N=C(\N)c1ccc2nc(N3CCN(c4ccccc4)C3=O)[nH]c2c1.

What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one?

The InChIKey is VJHWNVGKSWXRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3.C17H13F3N4O.C17H16N6O.C17H15N5O2.C17H13N5O.C17H16N4O2.C16H13ClN4O.C16H13FN4O/c1-2-26-17(24)13-8-9-15-16(12-13)21-18(20-15)23-11-10-22(19(23)25)14-6-4-3-5-7-14;18-17(19,20)11-6-7-13-14(10-11)22-15(21-13)24-9-8-23(16(24)25)12-4-2-1-3-5-12;18-15(19)11-6-7-13-14(10-11)21-16(20-13)23-9-8-22(17(23)24)12-4-2-1-3-5-12;18-15(23)11-6-7-13-14(10-11)20-16(19-13)22-9-8-21(17(22)24)12-4-2-1-3-5-12;18-11-12-6-7-14-15(10-12)20-16(19-14)22-9-8-21(17(22)23)13-4-2-1-3-5-13;1-23-13-7-8-14-15(11-13)19-16(18-14)21-10-9-20(17(21)22)12-5-3-2-4-6-12;2*17-11-6-7-13-14(10-11)19-15(18-13)21-9-8-20(16(21)22)12-4-2-1-3-5-12/h3-9,12H,2,10-11H2,1H3,(H,20,21);1-7,10H,8-9H2,(H,21,22);1-7,10H,8-9H2,(H3,18,19)(H,20,21);1-7,10H,8-9H2,(H2,18,23)(H,19,20);1-7,10H,8-9H2,(H,19,20);2-8,11H,9-10H2,1H3,(H,18,19);2*1-7,10H,8-9H2,(H,18,19).

What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one?

1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one has a molecular weight of 2559.12 g/mol, XLogP of 24.33, 21 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;ethyl 2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxylate;1-(6-fluoro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;1-(6-methoxy-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carbonitrile;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide;2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboximidamide;1-phenyl-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 161314462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).