4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C113H84Cl3F21N38O — CID 158125607

About 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 158125607) has the molecular formula C113H84Cl3F21N38O and a molecular weight of 2495.50 g/mol. Its IUPAC name is 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 158125607
• Molecular Formula: C113H84Cl3F21N38O
• Molecular Weight: 2495.50 g/mol
• Exact Mass: 2492.64
• IUPAC Name: 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• SMILES: CCc1nc2cc(F)ccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.CCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2cc(Cl)ccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/2C19H14ClF3N6.C19H13ClF3N5O.2C19H15F4N7.C18H13F4N7/c1-10-25-14-8-12(20)4-7-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-25-14-7-4-12(20)8-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-24-14-7-4-12(20)8-15(14)28(10)16-9-17(29)27-18(26-16)25-13-5-2-11(3-6-13)19(21,22)23;1-2-16-27-12-7-10(20)3-5-13(12)30(16)17-8-15(24)28-18(29-17)26-11-4-6-14(25-9-11)19(21,22)23;1-2-16-27-12-5-3-10(20)7-13(12)30(16)17-8-15(24)28-18(29-17)26-11-4-6-14(25-9-11)19(21,22)23;1-9-15(29-8-11(19)7-24-17(29)25-9)13-6-14(23)28-16(27-13)26-12-4-2-10(3-5-12)18(20,21)22/h2*2-9H,1H3,(H3,24,26,27,28);2-9H,1H3,(H2,25,26,27,29);2*3-9H,2H2,1H3,(H3,24,26,28,29);2-8H,1H3,(H3,23,26,27,28)
• InChIKey: FSDATODVBUGTQD-UHFFFAOYSA-N
• XLogP: 27.57
• TPSA: 522.00 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2495.50
LogP ≤ 5	27.57
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 158125607) is 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCc1nc2cc(F)ccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.CCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2cc(Cl)ccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cc(=O)[nH]c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The InChIKey is FSDATODVBUGTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14ClF3N6.C19H13ClF3N5O.2C19H15F4N7.C18H13F4N7/c1-10-25-14-8-12(20)4-7-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-25-14-7-4-12(20)8-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-24-14-7-4-12(20)8-15(14)28(10)16-9-17(29)27-18(26-16)25-13-5-2-11(3-6-13)19(21,22)23;1-2-16-27-12-7-10(20)3-5-13(12)30(16)17-8-15(24)28-18(29-17)26-11-4-6-14(25-9-11)19(21,22)23;1-2-16-27-12-5-3-10(20)7-13(12)30(16)17-8-15(24)28-18(29-17)26-11-4-6-14(25-9-11)19(21,22)23;1-9-15(29-8-11(19)7-24-17(29)25-9)13-6-14(23)28-16(27-13)26-12-4-2-10(3-5-12)18(20,21)22/h2*2-9H,1H3,(H3,24,26,27,28);2-9H,1H3,(H2,25,26,27,29);2*3-9H,2H2,1H3,(H3,24,26,28,29);2-8H,1H3,(H3,23,26,27,28).

What are the key properties of 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2495.50 g/mol, XLogP of 27.57, 20 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158125607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).