N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane

C111H86Cl2F8N32O11 — CID 158412792

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane
SMILESC.CC(=O)OCc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.O=C(Nc1cn[nH]c1-c1nc2c(CN3CCOCC3)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(CO)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl.O=C(O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.c1ccc(Nc2cn[nH]c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C22H20F2N6O2.C20H15F2N5O3.C18H11F2N5O3.C18H13F2N5O2.C17H11Cl2N5O.C15H12N6.CH4/c23-14-4-2-5-15(24)18(14)22(31)27-17-11-25-29-20(17)21-26-16-6-1-3-13(19(16)28-21)12-30-7-9-32-10-8-30;1-10(28)30-9-11-4-2-7-14-17(11)26-19(24-14)18-15(8-23-27-18)25-20(29)16-12(21)5-3-6-13(16)22;19-9-2-1-3-10(20)14(9)17(26)24-13-7-21-25-15(13)16-22-11-5-4-8(18(27)28)6-12(11)23-16;19-10-4-2-5-11(20)14(10)18(27)23-13-7-21-25-16(13)17-22-12-6-1-3-9(8-26)15(12)24-17;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16;1-2-6-11-10(5-1)19-15(20-11)14-12(9-17-21-14)18-13-7-3-4-8-16-13;/h1-6,11H,7-10,12H2,(H,25,29)(H,26,28)(H,27,31);2-8H,9H2,1H3,(H,23,27)(H,24,26)(H,25,29);1-7H,(H,21,25)(H,22,23)(H,24,26)(H,27,28);1-7,26H,8H2,(H,21,25)(H,22,24)(H,23,27);1-8H,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,16,18)(H,17,21)(H,19,20);1H4
InChIKeyGZNBCUVQOZEJFB-UHFFFAOYSA-N
MW2267.01 g/mol
LogP21.26
Rot. Bonds24

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane (PubChem CID 158412792) has the molecular formula C111H86Cl2F8N32O11 and a molecular weight of 2267.01 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane
PubChem CID158412792
Molecular FormulaC111H86Cl2F8N32O11
Molecular Weight2267.01 g/mol
Exact Mass2264.64
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane
SMILESC.CC(=O)OCc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.O=C(Nc1cn[nH]c1-c1nc2c(CN3CCOCC3)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(CO)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl.O=C(O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.c1ccc(Nc2cn[nH]c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C22H20F2N6O2.C20H15F2N5O3.C18H11F2N5O3.C18H13F2N5O2.C17H11Cl2N5O.C15H12N6.CH4/c23-14-4-2-5-15(24)18(14)22(31)27-17-11-25-29-20(17)21-26-16-6-1-3-13(19(16)28-21)12-30-7-9-32-10-8-30;1-10(28)30-9-11-4-2-7-14-17(11)26-19(24-14)18-15(8-23-27-18)25-20(29)16-12(21)5-3-6-13(16)22;19-9-2-1-3-10(20)14(9)17(26)24-13-7-21-25-15(13)16-22-11-5-4-8(18(27)28)6-12(11)23-16;19-10-4-2-5-11(20)14(10)18(27)23-13-7-21-25-16(13)17-22-12-6-1-3-9(8-26)15(12)24-17;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16;1-2-6-11-10(5-1)19-15(20-11)14-12(9-17-21-14)18-13-7-3-4-8-16-13;/h1-6,11H,7-10,12H2,(H,25,29)(H,26,28)(H,27,31);2-8H,9H2,1H3,(H,23,27)(H,24,26)(H,25,29);1-7H,(H,21,25)(H,22,23)(H,24,26)(H,27,28);1-7,26H,8H2,(H,21,25)(H,22,24)(H,23,27);1-8H,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,16,18)(H,17,21)(H,19,20);1H4
InChIKeyGZNBCUVQOZEJFB-UHFFFAOYSA-N
XLogP21.26
TPSA610.88 Ų
H-Bond Donors20
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002267.01
LogP ≤ 521.26
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1025

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane with MolForge

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-2,3-dihydro-1H-inden-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 157308177
4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol
CID 157399355
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trichlorobenzamide;2,6-difluoro-N-[5-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[5-hydroxy-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]benzamide
CID 158162837
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-6-methoxybenzamide;N-[5-[4-(chloromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate
CID 158189063
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trichlorobenzamide;2,6-difluoro-N-[5-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[5-hydroxy-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]benzamide
CID 159016182
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 159184971
1-(3H-benzimidazol-5-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(4-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
CID 160437441
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;N-[5-[4-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxamide;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160829751
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(3-oxobutyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160923858
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(bromomethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-fluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-6-methoxybenzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methyl 2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylate
CID 161041183
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trichlorobenzamide;2,6-difluoro-N-[5-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[5-hydroxy-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]benzamide
CID 161218990
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trichlorobenzamide;2,6-difluoro-N-[5-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[5-hydroxy-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 161231357

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane (CID 158412792) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane is C.CC(=O)OCc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.O=C(Nc1cn[nH]c1-c1nc2c(CN3CCOCC3)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(CO)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl.O=C(O)c1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.c1ccc(Nc2cn[nH]c2-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane?
The InChIKey is GZNBCUVQOZEJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2.C20H15F2N5O3.C18H11F2N5O3.C18H13F2N5O2.C17H11Cl2N5O.C15H12N6.CH4/c23-14-4-2-5-15(24)18(14)22(31)27-17-11-25-29-20(17)21-26-16-6-1-3-13(19(16)28-21)12-30-7-9-32-10-8-30;1-10(28)30-9-11-4-2-7-14-17(11)26-19(24-14)18-15(8-23-27-18)25-20(29)16-12(21)5-3-6-13(16)22;19-9-2-1-3-10(20)14(9)17(26)24-13-7-21-25-15(13)16-22-11-5-4-8(18(27)28)6-12(11)23-16;19-10-4-2-5-11(20)14(10)18(27)23-13-7-21-25-16(13)17-22-12-6-1-3-9(8-26)15(12)24-17;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16;1-2-6-11-10(5-1)19-15(20-11)14-12(9-17-21-14)18-13-7-3-4-8-16-13;/h1-6,11H,7-10,12H2,(H,25,29)(H,26,28)(H,27,31);2-8H,9H2,1H3,(H,23,27)(H,24,26)(H,25,29);1-7H,(H,21,25)(H,22,23)(H,24,26)(H,27,28);1-7,26H,8H2,(H,21,25)(H,22,24)(H,23,27);1-8H,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,16,18)(H,17,21)(H,19,20);1H4.
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane has a molecular weight of 2267.01 g/mol, XLogP of 21.26, 24 rotatable bonds, 20 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboxylic acid;[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazol-4-yl]methyl acetate;2,6-difluoro-N-[5-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;methane is sourced from PubChem (CID 158412792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).