2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate

C134H124Cl4F4N32O5 — CID 158851581

IUPAC2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate
SMILESCCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3ccnc4[nH]ccc34)cc21.CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21.CN(C)C(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN(C)CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3ccnc4[nH]ccc34)cc21.CN(C)CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21.COC(=O)c1ccc2c(c1)CC(c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2
InChIInChI=1S/C25H24ClFN6.C24H23N5O2.C23H19ClFN5.C22H19N5O3.C21H22ClFN6.C19H17ClFN5/c1-32(2)11-12-33-22-13-19(17-7-9-29-24-18(17)8-10-30-24)20(27)14-21(22)31-25(33)23(28)15-3-5-16(26)6-4-15;1-29(2)23(30)16-5-6-22-17(9-16)10-18(13-31-22)21-12-15-4-3-14(11-20(15)27-21)19-7-8-26-24(25)28-19;1-2-30-20-11-17(15-7-9-27-22-16(15)8-10-28-22)18(25)12-19(20)29-23(30)21(26)13-3-5-14(24)6-4-13;1-29-21(28)13-3-5-19-14(8-13)9-15(11-30-19)20-25-17-4-2-12(10-18(17)26-20)16-6-7-24-22(23)27-16;1-28(2)7-8-29-19-9-16(14-11-25-26-12-14)17(23)10-18(19)27-21(29)20(24)13-3-5-15(22)6-4-13;1-2-26-17-7-14(12-9-23-24-10-12)15(21)8-16(17)25-19(26)18(22)11-3-5-13(20)6-4-11/h3-10,13-14,23H,11-12,28H2,1-2H3,(H,29,30);3-9,11,18H,10,12-13H2,1-2H3,(H2,25,26,28);3-12,21H,2,26H2,1H3,(H,27,28);2-8,10,15H,9,11H2,1H3,(H,25,26)(H2,23,24,27);3-6,9-12,20H,7-8,24H2,1-2H3,(H,25,26);3-10,18H,2,22H2,1H3,(H,23,24)
InChIKeyIZNCHVUVFCPODB-UHFFFAOYSA-N
MW2480.49 g/mol
LogP24.95
Rot. Bonds26

About 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate

2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate (PubChem CID 158851581) has the molecular formula C134H124Cl4F4N32O5 and a molecular weight of 2480.49 g/mol. Its IUPAC name is 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate.

Molecular Properties

Compound Name2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate
PubChem CID158851581
Molecular FormulaC134H124Cl4F4N32O5
Molecular Weight2480.49 g/mol
Exact Mass2476.91
IUPAC Name2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate
SMILESCCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3ccnc4[nH]ccc34)cc21.CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21.CN(C)C(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN(C)CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3ccnc4[nH]ccc34)cc21.CN(C)CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21.COC(=O)c1ccc2c(c1)CC(c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2
InChIInChI=1S/C25H24ClFN6.C24H23N5O2.C23H19ClFN5.C22H19N5O3.C21H22ClFN6.C19H17ClFN5/c1-32(2)11-12-33-22-13-19(17-7-9-29-24-18(17)8-10-30-24)20(27)14-21(22)31-25(33)23(28)15-3-5-16(26)6-4-15;1-29(2)23(30)16-5-6-22-17(9-16)10-18(13-31-22)21-12-15-4-3-14(11-20(15)27-21)19-7-8-26-24(25)28-19;1-2-30-20-11-17(15-7-9-27-22-16(15)8-10-28-22)18(25)12-19(20)29-23(30)21(26)13-3-5-14(24)6-4-13;1-29-21(28)13-3-5-19-14(8-13)9-15(11-30-19)20-25-17-4-2-12(10-18(17)26-20)16-6-7-24-22(23)27-16;1-28(2)7-8-29-19-9-16(14-11-25-26-12-14)17(23)10-18(19)27-21(29)20(24)13-3-5-15(22)6-4-13;1-2-26-17-7-14(12-9-23-24-10-12)15(21)8-16(17)25-19(26)18(22)11-3-5-13(20)6-4-11/h3-10,13-14,23H,11-12,28H2,1-2H3,(H,29,30);3-9,11,18H,10,12-13H2,1-2H3,(H2,25,26,28);3-12,21H,2,26H2,1H3,(H,27,28);2-8,10,15H,9,11H2,1H3,(H,25,26)(H2,23,24,27);3-6,9-12,20H,7-8,24H2,1-2H3,(H,25,26);3-10,18H,2,22H2,1H3,(H,23,24)
InChIKeyIZNCHVUVFCPODB-UHFFFAOYSA-N
XLogP24.95
TPSA506.27 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002480.49
LogP ≤ 524.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate with MolForge

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Related Compounds

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CID 158929960
(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
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3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one
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6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide
CID 161249876
CID 165016796
CID 165016796
4-(6-amino-2-chloropurin-9-yl)butyl N-(1-benzofuran-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(1H-indol-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(2-methylpropyl)indol-5-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(2-methylpropyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2-phenylimidazo[1,2-a]pyridin-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylindol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylindol-6-yl)methyl]carbamate
CID 157171937
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-(1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline-4-carboxamide
CID 157457218
4-ethoxy-2-(6-methoxy-4-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide;2-(4-fluorophenyl)-4-imidazol-1-yl-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-4-propyl-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 157625916
4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
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CID 158995248

Frequently Asked Questions

What is the IUPAC name of 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate?
The IUPAC name of 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate (CID 158851581) is 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate.
What is the SMILES notation for 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate?
The canonical SMILES for 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate is CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3ccnc4[nH]ccc34)cc21.CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21.CN(C)C(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN(C)CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3ccnc4[nH]ccc34)cc21.CN(C)CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21.COC(=O)c1ccc2c(c1)CC(c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2.
What is the InChIKey of 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate?
The InChIKey is IZNCHVUVFCPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6.C24H23N5O2.C23H19ClFN5.C22H19N5O3.C21H22ClFN6.C19H17ClFN5/c1-32(2)11-12-33-22-13-19(17-7-9-29-24-18(17)8-10-30-24)20(27)14-21(22)31-25(33)23(28)15-3-5-16(26)6-4-15;1-29(2)23(30)16-5-6-22-17(9-16)10-18(13-31-22)21-12-15-4-3-14(11-20(15)27-21)19-7-8-26-24(25)28-19;1-2-30-20-11-17(15-7-9-27-22-16(15)8-10-28-22)18(25)12-19(20)29-23(30)21(26)13-3-5-14(24)6-4-13;1-29-21(28)13-3-5-19-14(8-13)9-15(11-30-19)20-25-17-4-2-12(10-18(17)26-20)16-6-7-24-22(23)27-16;1-28(2)7-8-29-19-9-16(14-11-25-26-12-14)17(23)10-18(19)27-21(29)20(24)13-3-5-15(22)6-4-13;1-2-26-17-7-14(12-9-23-24-10-12)15(21)8-16(17)25-19(26)18(22)11-3-5-13(20)6-4-11/h3-10,13-14,23H,11-12,28H2,1-2H3,(H,29,30);3-9,11,18H,10,12-13H2,1-2H3,(H2,25,26,28);3-12,21H,2,26H2,1H3,(H,27,28);2-8,10,15H,9,11H2,1H3,(H,25,26)(H2,23,24,27);3-6,9-12,20H,7-8,24H2,1-2H3,(H,25,26);3-10,18H,2,22H2,1H3,(H,23,24).
What are the key properties of 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate?
2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate has a molecular weight of 2480.49 g/mol, XLogP of 24.95, 26 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;2-[2-[amino-(4-chlorophenyl)methyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylethanamine;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N,N-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine;(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazol-2-yl]methanamine;methyl 3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromene-6-carboxylate is sourced from PubChem (CID 158851581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).