N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C116H97F8N33O12 — CID 159765259

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCN(C)Cc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.CN1CCN(C(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1ccc(F)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1.COc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1F.COc1cccc(OC)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C23H21F2N7O2.C20H18F2N6O.C19H17N5O3.C18H13F2N5O2.2C18H14FN5O2/c1-31-7-9-32(10-8-31)23(34)13-5-6-16-17(11-13)28-21(27-16)20-18(12-26-30-20)29-22(33)19-14(24)3-2-4-15(19)25;1-28(2)10-11-5-3-8-14-17(11)26-19(24-14)18-15(9-23-27-18)25-20(29)16-12(21)6-4-7-13(16)22;1-26-14-8-5-9-15(27-2)16(14)19(25)23-13-10-20-24-17(13)18-21-11-6-3-4-7-12(11)22-18;19-10-2-1-3-11(20)15(10)18(27)24-14-7-21-25-16(14)17-22-12-5-4-9(8-26)6-13(12)23-17;1-26-14-8-4-5-10(15(14)19)18(25)23-13-9-20-24-16(13)17-21-11-6-2-3-7-12(11)22-17;1-26-10-6-7-12(19)11(8-10)18(25)23-15-9-20-24-16(15)17-21-13-4-2-3-5-14(13)22-17/h2-6,11-12H,7-10H2,1H3,(H,26,30)(H,27,28)(H,29,33);3-9H,10H2,1-2H3,(H,23,27)(H,24,26)(H,25,29);3-10H,1-2H3,(H,20,24)(H,21,22)(H,23,25);1-7,26H,8H2,(H,21,25)(H,22,23)(H,24,27);2*2-9H,1H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyNFKLFSMGOMJUHW-UHFFFAOYSA-N
MW2297.25 g/mol
LogP19.32
Rot. Bonds26

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 159765259) has the molecular formula C116H97F8N33O12 and a molecular weight of 2297.25 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
PubChem CID159765259
Molecular FormulaC116H97F8N33O12
Molecular Weight2297.25 g/mol
Exact Mass2295.79
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCN(C)Cc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.CN1CCN(C(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1ccc(F)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1.COc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1F.COc1cccc(OC)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C23H21F2N7O2.C20H18F2N6O.C19H17N5O3.C18H13F2N5O2.2C18H14FN5O2/c1-31-7-9-32(10-8-31)23(34)13-5-6-16-17(11-13)28-21(27-16)20-18(12-26-30-20)29-22(33)19-14(24)3-2-4-15(19)25;1-28(2)10-11-5-3-8-14-17(11)26-19(24-14)18-15(9-23-27-18)25-20(29)16-12(21)6-4-7-13(16)22;1-26-14-8-5-9-15(27-2)16(14)19(25)23-13-10-20-24-17(13)18-21-11-6-3-4-7-12(11)22-18;19-10-2-1-3-11(20)15(10)18(27)24-14-7-21-25-16(14)17-22-12-5-4-9(8-26)6-13(12)23-17;1-26-14-8-4-5-10(15(14)19)18(25)23-13-9-20-24-16(13)17-21-11-6-2-3-7-12(11)22-17;1-26-10-6-7-12(19)11(8-10)18(25)23-15-9-20-24-16(15)17-21-13-4-2-3-5-14(13)22-17/h2-6,11-12H,7-10H2,1H3,(H,26,30)(H,27,28)(H,29,33);3-9H,10H2,1-2H3,(H,23,27)(H,24,26)(H,25,29);3-10H,1-2H3,(H,20,24)(H,21,22)(H,23,25);1-7,26H,8H2,(H,21,25)(H,22,23)(H,24,27);2*2-9H,1H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyNFKLFSMGOMJUHW-UHFFFAOYSA-N
XLogP19.32
TPSA602.70 Ų
H-Bond Donors19
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms169
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.25
LogP ≤ 519.32
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1026

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 159765259) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is CN(C)Cc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.CN1CCN(C(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1ccc(F)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1.COc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1F.COc1cccc(OC)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The InChIKey is NFKLFSMGOMJUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2.C20H18F2N6O.C19H17N5O3.C18H13F2N5O2.2C18H14FN5O2/c1-31-7-9-32(10-8-31)23(34)13-5-6-16-17(11-13)28-21(27-16)20-18(12-26-30-20)29-22(33)19-14(24)3-2-4-15(19)25;1-28(2)10-11-5-3-8-14-17(11)26-19(24-14)18-15(9-23-27-18)25-20(29)16-12(21)6-4-7-13(16)22;1-26-14-8-5-9-15(27-2)16(14)19(25)23-13-10-20-24-17(13)18-21-11-6-3-4-7-12(11)22-18;19-10-2-1-3-11(20)15(10)18(27)24-14-7-21-25-16(14)17-22-12-5-4-9(8-26)6-13(12)23-17;1-26-14-8-4-5-10(15(14)19)18(25)23-13-9-20-24-16(13)17-21-11-6-2-3-7-12(11)22-17;1-26-10-6-7-12(19)11(8-10)18(25)23-15-9-20-24-16(15)17-21-13-4-2-3-5-14(13)22-17/h2-6,11-12H,7-10H2,1H3,(H,26,30)(H,27,28)(H,29,33);3-9H,10H2,1-2H3,(H,23,27)(H,24,26)(H,25,29);3-10H,1-2H3,(H,20,24)(H,21,22)(H,23,25);1-7,26H,8H2,(H,21,25)(H,22,23)(H,24,27);2*2-9H,1H3,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 2297.25 g/mol, XLogP of 19.32, 26 rotatable bonds, 19 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dimethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-5-methoxybenzamide;2,6-difluoro-N-[5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 159765259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).