(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)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide

C105H122Cl4F3N29O7 — CID 160844541

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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cc1ccc2oc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)nc2c1.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
InChIInChI=1S/C23H27F3N6O.C23H30N6O.C22H26ClN5O2.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;1-14(2)11-16-6-7-19-18(12-16)25-21(30-19)26-22(29)28-10-9-27(13-15(28)3)20-17(23)5-4-8-24-20;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);4-8,12,14-15H,9-11,13H2,1-3H3,(H,25,26,29);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-;15-;12-;11-/m11111/s1
InChIKeySILXBOLUPWOPDD-RNSVPENASA-N
MW2101.13 g/mol
LogP21.51
Rot. Bonds13

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)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide (PubChem CID 160844541) has the molecular formula C105H122Cl4F3N29O7 and a molecular weight of 2101.13 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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide
PubChem CID160844541
Molecular FormulaC105H122Cl4F3N29O7
Molecular Weight2101.13 g/mol
Exact Mass2097.88
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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cc1ccc2oc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)nc2c1.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
InChIInChI=1S/C23H27F3N6O.C23H30N6O.C22H26ClN5O2.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;1-14(2)11-16-6-7-19-18(12-16)25-21(30-19)26-22(29)28-10-9-27(13-15(28)3)20-17(23)5-4-8-24-20;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);4-8,12,14-15H,9-11,13H2,1-3H3,(H,25,26,29);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-;15-;12-;11-/m11111/s1
InChIKeySILXBOLUPWOPDD-RNSVPENASA-N
XLogP21.51
TPSA392.33 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002101.13
LogP ≤ 521.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1'-(4,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-difluoro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5,6-dimethoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(1,3-oxazol-2-yl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(5-phenyl-3H-imidazo[4,5-b]pyrazin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 159255030
(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 159399292
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1,3-benzoxazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,6-dimethyl-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine
CID 159419603
(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
bis((2R)-N-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide);(2R)-N-(5-tert-butyl-1-methylbenzimidazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-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 91541550
N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 157115066
1-[6-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]-3-pyridinyl]but-3-en-2-one;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-5-fluoro-2-methylphenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-fluorophenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-5-methoxy-2-methylphenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-methylphenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]phenyl]prop-2-enamide;(E)-N-[6-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]-4-(dimethylamino)but-2-enamide;N-[6-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]prop-2-enamide
CID 159372338
N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 159937794
5-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(6-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;8-fluoro-5-methyl-2-(5-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinazolin-2-yl]morpholine;5-(8-methoxy-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 161770049
1-[6-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]-3-pyridinyl]but-3-en-2-one;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-5-fluoro-2-methylphenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-5-methoxy-2-methylphenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-methylphenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]phenyl]prop-2-enamide;(E)-N-[6-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]-4-(dimethylamino)but-2-enamide;N-[6-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]prop-2-enamide
CID 165091732

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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide (CID 160844541) 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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide is CC(C)Cc1ccc2oc(NC(=O)N3CCN(c4ncccc4Cl)C[C@H]3C)nc2c1.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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide?
The InChIKey is SILXBOLUPWOPDD-RNSVPENASA-N. The full InChI is InChI=1S/C23H27F3N6O.C23H30N6O.C22H26ClN5O2.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;1-14(2)11-16-6-7-19-18(12-16)25-21(30-19)26-22(29)28-10-9-27(13-15(28)3)20-17(23)5-4-8-24-20;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);4-8,12,14-15H,9-11,13H2,1-3H3,(H,25,26,29);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-;15-;12-;11-/m11111/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)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide has a molecular weight of 2101.13 g/mol, XLogP of 21.51, 13 rotatable bonds, 9 hydrogen bond donors, and 22 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;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[5-(2-methylpropyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 160844541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).