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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C123H111F5N34O13 — CID 159178608

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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCN(C(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1cccc(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(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1OCCN1CCCC1
InChIInChI=1S/C23H21F2N7O2.C23H24N6O2.C22H20F2N6O2.C19H17N5O3.C18H14FN5O2.C18H15N5O2/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;30-23(16-7-1-4-10-20(16)31-14-13-29-11-5-6-12-29)27-19-15-24-28-21(19)22-25-17-8-2-3-9-18(17)26-22;23-14-2-1-3-15(24)19(14)22(31)28-18-11-25-29-20(18)21-26-16-5-4-13(10-17(16)27-21)12-30-6-8-32-9-7-30;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;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;1-25-12-6-4-5-11(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,7-10H2,1H3,(H,26,30)(H,27,28)(H,29,33);1-4,7-10,15H,5-6,11-14H2,(H,24,28)(H,25,26)(H,27,30);1-5,10-11H,6-9,12H2,(H,25,29)(H,26,27)(H,28,31);3-10H,1-2H3,(H,20,24)(H,21,22)(H,23,25);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);2-10H,1H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyKMPFMUXPSJETAT-UHFFFAOYSA-N
MW2368.46 g/mol
LogP19.66
Rot. Bonds29

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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 159178608) has the molecular formula C123H111F5N34O13 and a molecular weight of 2368.46 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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID159178608
Molecular FormulaC123H111F5N34O13
Molecular Weight2368.46 g/mol
Exact Mass2366.90
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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCN(C(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1cccc(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(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1OCCN1CCCC1
InChIInChI=1S/C23H21F2N7O2.C23H24N6O2.C22H20F2N6O2.C19H17N5O3.C18H14FN5O2.C18H15N5O2/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;30-23(16-7-1-4-10-20(16)31-14-13-29-11-5-6-12-29)27-19-15-24-28-21(19)22-25-17-8-2-3-9-18(17)26-22;23-14-2-1-3-15(24)19(14)22(31)28-18-11-25-29-20(18)21-26-16-5-4-13(10-17(16)27-21)12-30-6-8-32-9-7-30;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;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;1-25-12-6-4-5-11(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,7-10H2,1H3,(H,26,30)(H,27,28)(H,29,33);1-4,7-10,15H,5-6,11-14H2,(H,24,28)(H,25,26)(H,27,30);1-5,10-11H,6-9,12H2,(H,25,29)(H,26,27)(H,28,31);3-10H,1-2H3,(H,20,24)(H,21,22)(H,23,25);2-9H,1H3,(H,20,24)(H,21,22)(H,23,25);2-10H,1H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyKMPFMUXPSJETAT-UHFFFAOYSA-N
XLogP19.66
TPSA604.17 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.46
LogP ≤ 519.66
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide 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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 159178608) 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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-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]-2,6-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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is CN1CCN(C(=O)c2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.COc1cccc(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(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccccc1OCCN1CCCC1.
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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is KMPFMUXPSJETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2.C23H24N6O2.C22H20F2N6O2.C19H17N5O3.C18H14FN5O2.C18H15N5O2/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;30-23(16-7-1-4-10-20(16)31-14-13-29-11-5-6-12-29)27-19-15-24-28-21(19)22-25-17-8-2-3-9-18(17)26-22;23-14-2-1-3-15(24)19(14)22(31)28-18-11-25-29-20(18)21-26-16-5-4-13(10-17(16)27-21)12-30-6-8-32-9-7-30;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;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;1-25-12-6-4-5-11(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,7-10H2,1H3,(H,26,30)(H,27,28)(H,29,33);1-4,7-10,15H,5-6,11-14H2,(H,24,28)(H,25,26)(H,27,30);1-5,10-11H,6-9,12H2,(H,25,29)(H,26,27)(H,28,31);3-10H,1-2H3,(H,20,24)(H,21,22)(H,23,25);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]-2,6-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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 2368.46 g/mol, XLogP of 19.66, 29 rotatable bonds, 18 hydrogen bond donors, and 28 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]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(2-pyrrolidin-1-ylethoxy)benzamide;2,6-difluoro-N-[5-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 159178608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).