1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C126H109F3N38O11S2 — CID 157350313

IUPAC1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCc1cccc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1sccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccoc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccsc1
InChIInChI=1S/C24H26N6O2.C23H23FN6O2.C17H12F2N6O.C16H13N5O2.C16H13N5OS.C15H11N5O2.C15H11N5OS/c1-15-4-3-5-16(2)21(15)24(31)28-20-13-25-29-22(20)23-26-18-7-6-17(12-19(18)27-23)14-30-8-10-32-11-9-30;1-14-3-2-4-16(24)20(14)23(31)28-19-12-25-29-21(19)22-26-17-6-5-15(11-18(17)27-22)13-30-7-9-32-10-8-30;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;1-9-10(6-7-23-9)16(22)20-13-8-17-21-14(13)15-18-11-4-2-3-5-12(11)19-15;2*21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-12H,7-10,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2*2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1-8H,(H,16,20)(H,17,18)(H,19,21)
InChIKeyBHLJWSCJFKSXGS-UHFFFAOYSA-N
MW2452.64 g/mol
LogP23.76
Rot. Bonds25

About 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 157350313) has the molecular formula C126H109F3N38O11S2 and a molecular weight of 2452.64 g/mol. Its IUPAC name is 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID157350313
Molecular FormulaC126H109F3N38O11S2
Molecular Weight2452.64 g/mol
Exact Mass2450.85
IUPAC Name1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCc1cccc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1sccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccoc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccsc1
InChIInChI=1S/C24H26N6O2.C23H23FN6O2.C17H12F2N6O.C16H13N5O2.C16H13N5OS.C15H11N5O2.C15H11N5OS/c1-15-4-3-5-16(2)21(15)24(31)28-20-13-25-29-22(20)23-26-18-7-6-17(12-19(18)27-23)14-30-8-10-32-11-9-30;1-14-3-2-4-16(24)20(14)23(31)28-19-12-25-29-21(19)22-26-17-6-5-15(11-18(17)27-22)13-30-7-9-32-10-8-30;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;1-9-10(6-7-23-9)16(22)20-13-8-17-21-14(13)15-18-11-4-2-3-5-12(11)19-15;2*21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-12H,7-10,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2*2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1-8H,(H,16,20)(H,17,18)(H,19,21)
InChIKeyBHLJWSCJFKSXGS-UHFFFAOYSA-N
XLogP23.76
TPSA668.47 Ų
H-Bond Donors22
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002452.64
LogP ≤ 523.76
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1029

Analyze 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide with MolForge

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Related Compounds

4-(1,5-dihydropyrazol-2-yl)-N-hydroxybenzamide;(4S)-2-ethyl-N-hydroxy-1,3-thiazolidine-4-carboxamide;N-hydroxyfuran-3-carboxamide;N-hydroxy-1H-imidazole-5-carboxamide;N-hydroxy-5-(4-methoxyphenyl)furan-2-carboxamide;N-hydroxy-2-methyl-3H-benzimidazole-5-carboxamide;N-hydroxy-2-(4-methylphenoxy)acetamide;N-hydroxy-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-hydroxy-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-hydroxy-2-phenoxyacetamide;N-hydroxy-5-pyridin-2-ylthiophene-2-carboxamide;N-hydroxyquinoline-2-carboxamide
CID 157972953
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 160112052
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 160265792
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 160546885
4-fluoro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 160940250
N-[5-[6-[(4-cyclopentylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 161877169
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 162029892
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 162134179
1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium
CID 157361253
1-(3H-benzimidazol-5-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3H-benzimidazol-5-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1-benzothiophen-5-yl)-4-pyridazin-4-ylbutane-1,4-dione
CID 157982394

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 157350313) is 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is Cc1cccc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1sccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccoc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccsc1.
What is the InChIKey of 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is BHLJWSCJFKSXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C23H23FN6O2.C17H12F2N6O.C16H13N5O2.C16H13N5OS.C15H11N5O2.C15H11N5OS/c1-15-4-3-5-16(2)21(15)24(31)28-20-13-25-29-22(20)23-26-18-7-6-17(12-19(18)27-23)14-30-8-10-32-11-9-30;1-14-3-2-4-16(24)20(14)23(31)28-19-12-25-29-21(19)22-26-17-6-5-15(11-18(17)27-22)13-30-7-9-32-10-8-30;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;1-9-10(6-7-23-9)16(22)20-13-8-17-21-14(13)15-18-11-4-2-3-5-12(11)19-15;2*21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-12H,7-10,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2*2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1-8H,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 2452.64 g/mol, XLogP of 23.76, 25 rotatable bonds, 22 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 157350313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).