4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol

C93H69ClF12N14O13 — CID 159312559

About 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol

4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol (PubChem CID 159312559) has the molecular formula C93H69ClF12N14O13 and a molecular weight of 1854.09 g/mol. Its IUPAC name is 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol.

Molecular Properties

• Compound Name: 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol
• PubChem CID: 159312559
• Molecular Formula: C93H69ClF12N14O13
• Molecular Weight: 1854.09 g/mol
• Exact Mass: 1852.47
• IUPAC Name: 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol
• SMILES: CCOC(=O)C1C2Oc3ccc(C)cc3C21.Clc1ccncn1.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ccncn6)cc5C43)[nH]c2c1.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ccncn6)cc5C43)[nH]c2c1.Nc1ccc(C(F)(F)F)cc1N.O=C(O)C1C2Oc3ccc(O)cc3C21.Oc1ccc2c(c1)C1C(O2)C1c1nc2ccc(C(F)(F)F)cc2[nH]1
• InChI: InChI=1S/2C21H13F3N4O2.C17H11F3N2O2.C13H14O3.C10H8O4.C7H7F3N2.C4H3ClN2/c2*22-21(23,24)10-1-3-13-14(7-10)28-20(27-13)18-17-12-8-11(2-4-15(12)30-19(17)18)29-16-5-6-25-9-26-16;18-17(19,20)7-1-3-10-11(5-7)22-16(21-10)14-13-9-6-8(23)2-4-12(9)24-15(13)14;1-3-15-13(14)11-10-8-6-7(2)4-5-9(8)16-12(10)11;11-4-1-2-6-5(3-4)7-8(10(12)13)9(7)14-6;8-7(9,10)4-1-2-5(11)6(12)3-4;5-4-1-2-6-3-7-4/h2*1-9,17-19H,(H,27,28);1-6,13-15,23H,(H,21,22);4-6,10-12H,3H2,1-2H3;1-3,7-9,11H,(H,12,13);1-3H,11-12H2;1-3H
• InChIKey: LCSRJAWIIDMYCN-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 384.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1854.09
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol?

The IUPAC name of 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol (CID 159312559) is 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol.

What is the SMILES notation for 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol?

The canonical SMILES for 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol is CCOC(=O)C1C2Oc3ccc(C)cc3C21.Clc1ccncn1.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ccncn6)cc5C43)[nH]c2c1.FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ccncn6)cc5C43)[nH]c2c1.Nc1ccc(C(F)(F)F)cc1N.O=C(O)C1C2Oc3ccc(O)cc3C21.Oc1ccc2c(c1)C1C(O2)C1c1nc2ccc(C(F)(F)F)cc2[nH]1.

What is the InChIKey of 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol?

The InChIKey is LCSRJAWIIDMYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H13F3N4O2.C17H11F3N2O2.C13H14O3.C10H8O4.C7H7F3N2.C4H3ClN2/c2*22-21(23,24)10-1-3-13-14(7-10)28-20(27-13)18-17-12-8-11(2-4-15(12)30-19(17)18)29-16-5-6-25-9-26-16;18-17(19,20)7-1-3-10-11(5-7)22-16(21-10)14-13-9-6-8(23)2-4-12(9)24-15(13)14;1-3-15-13(14)11-10-8-6-7(2)4-5-9(8)16-12(10)11;11-4-1-2-6-5(3-4)7-8(10(12)13)9(7)14-6;8-7(9,10)4-1-2-5(11)6(12)3-4;5-4-1-2-6-3-7-4/h2*1-9,17-19H,(H,27,28);1-6,13-15,23H,(H,21,22);4-6,10-12H,3H2,1-2H3;1-3,7-9,11H,(H,12,13);1-3H,11-12H2;1-3H.

What are the key properties of 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol?

4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol has a molecular weight of 1854.09 g/mol, XLogP of 19.52, 10 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloropyrimidine;ethyl 5-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate;5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid;bis(2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole);4-(trifluoromethyl)benzene-1,2-diamine;1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-ol is sourced from PubChem (CID 159312559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).