(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide

C83H96Cl3F3N24O5 — CID 160817457

IUPAC(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2[nH]1.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1
InChIInChI=1S/C23H27F3N6O.C23H30N6O.C19H21ClN6O2.C18H18Cl2N6O/c1-14-13-31(19-16(23(24,25)26)6-5-9-27-19)10-11-32(14)21(33)30-20-28-17-8-7-15(22(2,3)4)12-18(17)29-20;1-15-7-6-10-24-20(15)28-11-12-29(16(2)14-28)22(30)27-21-25-18-9-8-17(23(3,4)5)13-19(18)26-21;1-12-11-25(17-14(20)4-3-7-21-17)8-9-26(12)19(27)24-18-22-15-6-5-13(28-2)10-16(15)23-18;1-11-10-25(16-13(20)3-2-6-21-16)7-8-26(11)18(27)24-17-22-14-5-4-12(19)9-15(14)23-17/h5-9,12,14H,10-11,13H2,1-4H3,(H2,28,29,30,33);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30);3-7,10,12H,8-9,11H2,1-2H3,(H2,22,23,24,27);2-6,9,11H,7-8,10H2,1H3,(H2,22,23,24,27)/t14-;16-;12-;11-/m1111/s1
InChIKeySFBXYYZNKFUXJJ-LUTZRWPYSA-N
MW1673.20 g/mol
LogP16.69
Rot. Bonds9

About (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide

(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide (PubChem CID 160817457) has the molecular formula C83H96Cl3F3N24O5 and a molecular weight of 1673.20 g/mol. Its IUPAC name is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
PubChem CID160817457
Molecular FormulaC83H96Cl3F3N24O5
Molecular Weight1673.20 g/mol
Exact Mass1670.70
IUPAC Name(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2[nH]1.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1
InChIInChI=1S/C23H27F3N6O.C23H30N6O.C19H21ClN6O2.C18H18Cl2N6O/c1-14-13-31(19-16(23(24,25)26)6-5-9-27-19)10-11-32(14)21(33)30-20-28-17-8-7-15(22(2,3)4)12-18(17)29-20;1-15-7-6-10-24-20(15)28-11-12-29(16(2)14-28)22(30)27-21-25-18-9-8-17(23(3,4)5)13-19(18)26-21;1-12-11-25(17-14(20)4-3-7-21-17)8-9-26(12)19(27)24-18-22-15-6-5-13(28-2)10-16(15)23-18;1-11-10-25(16-13(20)3-2-6-21-16)7-8-26(11)18(27)24-17-22-14-5-4-12(19)9-15(14)23-17/h5-9,12,14H,10-11,13H2,1-4H3,(H2,28,29,30,33);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30);3-7,10,12H,8-9,11H2,1-2H3,(H2,22,23,24,27);2-6,9,11H,7-8,10H2,1H3,(H2,22,23,24,27)/t14-;16-;12-;11-/m1111/s1
InChIKeySFBXYYZNKFUXJJ-LUTZRWPYSA-N
XLogP16.69
TPSA317.83 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001673.20
LogP ≤ 516.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide (CID 160817457) is (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide is COc1ccc2nc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)[nH]c2c1.C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(Cl)cc2[nH]1.Cc1cccnc1N1CCN(C(=O)Nc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H](C)C1.
What is the InChIKey of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
The InChIKey is SFBXYYZNKFUXJJ-LUTZRWPYSA-N. The full InChI is InChI=1S/C23H27F3N6O.C23H30N6O.C19H21ClN6O2.C18H18Cl2N6O/c1-14-13-31(19-16(23(24,25)26)6-5-9-27-19)10-11-32(14)21(33)30-20-28-17-8-7-15(22(2,3)4)12-18(17)29-20;1-15-7-6-10-24-20(15)28-11-12-29(16(2)14-28)22(30)27-21-25-18-9-8-17(23(3,4)5)13-19(18)26-21;1-12-11-25(17-14(20)4-3-7-21-17)8-9-26(12)19(27)24-18-22-15-6-5-13(28-2)10-16(15)23-18;1-11-10-25(16-13(20)3-2-6-21-16)7-8-26(11)18(27)24-17-22-14-5-4-12(19)9-15(14)23-17/h5-9,12,14H,10-11,13H2,1-4H3,(H2,28,29,30,33);6-10,13,16H,11-12,14H2,1-5H3,(H2,25,26,27,30);3-7,10,12H,8-9,11H2,1-2H3,(H2,22,23,24,27);2-6,9,11H,7-8,10H2,1H3,(H2,22,23,24,27)/t14-;16-;12-;11-/m1111/s1.
What are the key properties of (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide?
(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide has a molecular weight of 1673.20 g/mol, XLogP of 16.69, 9 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-N-(6-chloro-1H-benzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 160817457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).