N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide

C124H121ClFN33O6 — CID 160580991

IUPACN-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)ncn2-c1cc(CC(C)(C)C)ncn1.C=CC(=O)Nc1ccc2c(c1)ncn2-c1nccc(CC(C)(C)C)n1.C=CC(=O)Nc1ccc2ncn(-c3cncc(-c4ccc(F)c(Cl)c4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(C[C@@H](C)c4ccccc4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(N4CCN(C)CC4)n3)c2c1.CC(C)(C)Cc1cncc(-n2cnc3ccc(NC(=O)/C=C\c4cccnc4)cc32)n1
InChIInChI=1S/C24H24N6O.C23H21N5O.C20H13ClFN5O.C19H21N7O.2C19H21N5O/c1-24(2,3)12-19-14-26-15-22(28-19)30-16-27-20-8-7-18(11-21(20)30)29-23(31)9-6-17-5-4-10-25-13-17;1-3-23(29)27-18-9-10-20-21(12-18)28(15-25-20)22-14-24-13-19(26-22)11-16(2)17-7-5-4-6-8-17;1-2-20(28)25-13-4-6-16-18(8-13)27(11-24-16)19-10-23-9-17(26-19)12-3-5-15(22)14(21)7-12;1-3-19(27)22-14-4-5-15-16(10-14)26(13-21-15)18-12-20-11-17(23-18)25-8-6-24(2)7-9-25;1-5-18(25)23-13-6-7-16-15(8-13)22-12-24(16)17-9-14(20-11-21-17)10-19(2,3)4;1-5-17(25)22-13-6-7-16-15(10-13)21-12-24(16)18-20-9-8-14(23-18)11-19(2,3)4/h4-11,13-16H,12H2,1-3H3,(H,29,31);3-10,12-16H,1,11H2,2H3,(H,27,29);2-11H,1H2,(H,25,28);3-5,10-13H,1,6-9H2,2H3,(H,22,27);5-9,11-12H,1,10H2,2-4H3,(H,23,25);5-10,12H,1,11H2,2-4H3,(H,22,25)/b9-6-;;;;;/t;16-;;;;/m.1..../s1
InChIKeyRBTXMNWRQVCSIN-LTEZQUQGSA-N
MW2224.01 g/mol
LogP21.89
Rot. Bonds27

About N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide

N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide (PubChem CID 160580991) has the molecular formula C124H121ClFN33O6 and a molecular weight of 2224.01 g/mol. Its IUPAC name is N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
PubChem CID160580991
Molecular FormulaC124H121ClFN33O6
Molecular Weight2224.01 g/mol
Exact Mass2221.99
IUPAC NameN-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)ncn2-c1cc(CC(C)(C)C)ncn1.C=CC(=O)Nc1ccc2c(c1)ncn2-c1nccc(CC(C)(C)C)n1.C=CC(=O)Nc1ccc2ncn(-c3cncc(-c4ccc(F)c(Cl)c4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(C[C@@H](C)c4ccccc4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(N4CCN(C)CC4)n3)c2c1.CC(C)(C)Cc1cncc(-n2cnc3ccc(NC(=O)/C=C\c4cccnc4)cc32)n1
InChIInChI=1S/C24H24N6O.C23H21N5O.C20H13ClFN5O.C19H21N7O.2C19H21N5O/c1-24(2,3)12-19-14-26-15-22(28-19)30-16-27-20-8-7-18(11-21(20)30)29-23(31)9-6-17-5-4-10-25-13-17;1-3-23(29)27-18-9-10-20-21(12-18)28(15-25-20)22-14-24-13-19(26-22)11-16(2)17-7-5-4-6-8-17;1-2-20(28)25-13-4-6-16-18(8-13)27(11-24-16)19-10-23-9-17(26-19)12-3-5-15(22)14(21)7-12;1-3-19(27)22-14-4-5-15-16(10-14)26(13-21-15)18-12-20-11-17(23-18)25-8-6-24(2)7-9-25;1-5-18(25)23-13-6-7-16-15(8-13)22-12-24(16)17-9-14(20-11-21-17)10-19(2,3)4;1-5-17(25)22-13-6-7-16-15(10-13)21-12-24(16)18-20-9-8-14(23-18)11-19(2,3)4/h4-11,13-16H,12H2,1-3H3,(H,29,31);3-10,12-16H,1,11H2,2H3,(H,27,29);2-11H,1H2,(H,25,28);3-5,10-13H,1,6-9H2,2H3,(H,22,27);5-9,11-12H,1,10H2,2-4H3,(H,23,25);5-10,12H,1,11H2,2-4H3,(H,22,25)/b9-6-;;;;;/t;16-;;;;/m.1..../s1
InChIKeyRBTXMNWRQVCSIN-LTEZQUQGSA-N
XLogP21.89
TPSA455.57 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002224.01
LogP ≤ 521.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide with MolForge

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Related Compounds

2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
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
4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide;2-methyl-1-oxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide;6-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 158539402
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 159380164
[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 159873230
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(4-methylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 160365014
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 160544143
8-N-cyclohexyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-ylpurine-2,8-diamine;N-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]-9-propan-2-ylpurin-8-yl]amino]phenyl]prop-2-enamide;2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine;2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-8-N-[4-(trifluoromethyl)phenyl]purine-2,8-diamine
CID 161474989
N-[3-bromo-6-(3-chlorophenyl)imidazo[1,2-a]pyridin-8-yl]acetamide;3-bromo-N,6-diphenylimidazo[1,2-a]pyridin-8-amine;3-bromo-N-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;N-[3-bromo-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 161913350
2-(6-Tert-butyl-5-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-(4-tert-butylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)-7,8-difluoropyrimido[1,2-a]benzimidazole;2-(6-tert-butyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole;2-[6-tert-butyl-5-(trifluoromethyl)-3-pyridinyl]pyrimido[1,2-a]benzimidazole;2-methylpropane;2-piperazin-1-ylpyrimido[1,2-a]benzimidazole
CID 167543321
2-(benzimidazol-1-yl)-7-[(5S)-5-[2-(benzimidazol-1-yl)-7-[6-[[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]methyl]-2-pyridinyl]-8-oxopurin-9-yl]-5,6,7,8-tetrahydroquinolin-8-yl]-9-[(6-chloro-3-pyridinyl)methyl]purin-8-one
CID 143306741
4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[6-phenyl-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;phenylboronic acid
CID 157055756

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide (CID 160580991) is N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)ncn2-c1cc(CC(C)(C)C)ncn1.C=CC(=O)Nc1ccc2c(c1)ncn2-c1nccc(CC(C)(C)C)n1.C=CC(=O)Nc1ccc2ncn(-c3cncc(-c4ccc(F)c(Cl)c4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(C[C@@H](C)c4ccccc4)n3)c2c1.C=CC(=O)Nc1ccc2ncn(-c3cncc(N4CCN(C)CC4)n3)c2c1.CC(C)(C)Cc1cncc(-n2cnc3ccc(NC(=O)/C=C\c4cccnc4)cc32)n1.
What is the InChIKey of N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
The InChIKey is RBTXMNWRQVCSIN-LTEZQUQGSA-N. The full InChI is InChI=1S/C24H24N6O.C23H21N5O.C20H13ClFN5O.C19H21N7O.2C19H21N5O/c1-24(2,3)12-19-14-26-15-22(28-19)30-16-27-20-8-7-18(11-21(20)30)29-23(31)9-6-17-5-4-10-25-13-17;1-3-23(29)27-18-9-10-20-21(12-18)28(15-25-20)22-14-24-13-19(26-22)11-16(2)17-7-5-4-6-8-17;1-2-20(28)25-13-4-6-16-18(8-13)27(11-24-16)19-10-23-9-17(26-19)12-3-5-15(22)14(21)7-12;1-3-19(27)22-14-4-5-15-16(10-14)26(13-21-15)18-12-20-11-17(23-18)25-8-6-24(2)7-9-25;1-5-18(25)23-13-6-7-16-15(8-13)22-12-24(16)17-9-14(20-11-21-17)10-19(2,3)4;1-5-17(25)22-13-6-7-16-15(10-13)21-12-24(16)18-20-9-8-14(23-18)11-19(2,3)4/h4-11,13-16H,12H2,1-3H3,(H,29,31);3-10,12-16H,1,11H2,2H3,(H,27,29);2-11H,1H2,(H,25,28);3-5,10-13H,1,6-9H2,2H3,(H,22,27);5-9,11-12H,1,10H2,2-4H3,(H,23,25);5-10,12H,1,11H2,2-4H3,(H,22,25)/b9-6-;;;;;/t;16-;;;;/m.1..../s1.
What are the key properties of N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide?
N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide has a molecular weight of 2224.01 g/mol, XLogP of 21.89, 27 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 160580991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).