N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C101H88F5N29O6 — CID 158866382

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCC(C)(C)NCc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.CN1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1.Cc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2cccnc12
InChIInChI=1S/C23H23F2N7O.C22H22F2N6O.C20H14N6O.C18H14FN5O.C18H15N5O2/c1-31-7-9-32(10-8-31)13-14-5-6-17-18(11-14)28-22(27-17)21-19(12-26-30-21)29-23(33)20-15(24)3-2-4-16(20)25;1-22(2,3)25-10-12-7-8-15-16(9-12)28-20(27-15)19-17(11-26-30-19)29-21(31)18-13(23)5-4-6-14(18)24;27-20(13-7-3-5-12-6-4-10-21-17(12)13)25-16-11-22-26-18(16)19-23-14-8-1-2-9-15(14)24-19;1-10-5-4-6-11(15(10)19)18(25)23-14-9-20-24-16(14)17-21-12-7-2-3-8-13(12)22-17;1-25-12-6-4-5-11(9-12)18(24)22-15-10-19-23-16(15)17-20-13-7-2-3-8-14(13)21-17/h2-6,11-12H,7-10,13H2,1H3,(H,26,30)(H,27,28)(H,29,33);4-9,11,25H,10H2,1-3H3,(H,26,30)(H,27,28)(H,29,31);1-11H,(H,22,26)(H,23,24)(H,25,27);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);2-10H,1H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyJBHAFXIMWYQQAL-UHFFFAOYSA-N
MW1899.00 g/mol
LogP18.22
Rot. Bonds20

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 158866382) has the molecular formula C101H88F5N29O6 and a molecular weight of 1899.00 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID158866382
Molecular FormulaC101H88F5N29O6
Molecular Weight1899.00 g/mol
Exact Mass1897.74
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCC(C)(C)NCc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.CN1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1.Cc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2cccnc12
InChIInChI=1S/C23H23F2N7O.C22H22F2N6O.C20H14N6O.C18H14FN5O.C18H15N5O2/c1-31-7-9-32(10-8-31)13-14-5-6-17-18(11-14)28-22(27-17)21-19(12-26-30-21)29-23(33)20-15(24)3-2-4-16(20)25;1-22(2,3)25-10-12-7-8-15-16(9-12)28-20(27-15)19-17(11-26-30-19)29-21(31)18-13(23)5-4-6-14(18)24;27-20(13-7-3-5-12-6-4-10-21-17(12)13)25-16-11-22-26-18(16)19-23-14-8-1-2-9-15(14)24-19;1-10-5-4-6-11(15(10)19)18(25)23-14-9-20-24-16(14)17-21-12-7-2-3-8-13(12)22-17;1-25-12-6-4-5-11(9-12)18(24)22-15-10-19-23-16(15)17-20-13-7-2-3-8-14(13)21-17/h2-6,11-12H,7-10,13H2,1H3,(H,26,30)(H,27,28)(H,29,33);4-9,11,25H,10H2,1-3H3,(H,26,30)(H,27,28)(H,29,31);1-11H,(H,22,26)(H,23,24)(H,25,27);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);2-10H,1H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyJBHAFXIMWYQQAL-UHFFFAOYSA-N
XLogP18.22
TPSA472.93 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.00
LogP ≤ 518.22
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide with MolForge

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Related Compounds

N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136937043
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136937085
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136937087
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136937793
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136938399
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136938424
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136943213
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136943250
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136946133
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136946191
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087348
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137111631

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 158866382) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is CC(C)(C)NCc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.CN1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1.Cc1cccc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2cccnc12.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is JBHAFXIMWYQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O.C22H22F2N6O.C20H14N6O.C18H14FN5O.C18H15N5O2/c1-31-7-9-32(10-8-31)13-14-5-6-17-18(11-14)28-22(27-17)21-19(12-26-30-21)29-23(33)20-15(24)3-2-4-16(20)25;1-22(2,3)25-10-12-7-8-15-16(9-12)28-20(27-15)19-17(11-26-30-19)29-21(31)18-13(23)5-4-6-14(18)24;27-20(13-7-3-5-12-6-4-10-21-17(12)13)25-16-11-22-26-18(16)19-23-14-8-1-2-9-15(14)24-19;1-10-5-4-6-11(15(10)19)18(25)23-14-9-20-24-16(14)17-21-12-7-2-3-8-13(12)22-17;1-25-12-6-4-5-11(9-12)18(24)22-15-10-19-23-16(15)17-20-13-7-2-3-8-14(13)21-17/h2-6,11-12H,7-10,13H2,1H3,(H,26,30)(H,27,28)(H,29,33);4-9,11,25H,10H2,1-3H3,(H,26,30)(H,27,28)(H,29,31);1-11H,(H,22,26)(H,23,24)(H,25,27);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);2-10H,1H3,(H,19,23)(H,20,21)(H,22,24).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 1899.00 g/mol, XLogP of 18.22, 20 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 158866382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).