N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide

C100H94ClN29O7 — CID 158856451

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
SMILESCN1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)CC1.Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C)c1.Cc1cc(N2CCOCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(-c2cnco2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1Cl
InChIInChI=1S/C22H22N6O2.C21H19ClN6O.C20H14N6O2.C20H19N5O.C17H20N6O/c1-14-12-15(28-8-10-30-11-9-28)6-7-16(14)22(29)26-19-13-23-27-20(19)21-24-17-4-2-3-5-18(17)25-21;22-15-11-13(28-9-3-4-10-28)7-8-14(15)21(29)26-18-12-23-27-19(18)20-24-16-5-1-2-6-17(16)25-20;27-20(13-7-5-12(6-8-13)17-10-21-11-28-17)25-16-9-22-26-18(16)19-23-14-3-1-2-4-15(14)24-19;1-11-8-12(2)17(13(3)9-11)20(26)24-16-10-21-25-18(16)19-22-14-6-4-5-7-15(14)23-19;1-23-8-6-11(7-9-23)17(24)21-14-10-18-22-15(14)16-19-12-4-2-3-5-13(12)20-16/h2-7,12-13H,8-11H2,1H3,(H,23,27)(H,24,25)(H,26,29);1-2,5-8,11-12H,3-4,9-10H2,(H,23,27)(H,24,25)(H,26,29);1-11H,(H,22,26)(H,23,24)(H,25,27);4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26);2-5,10-11H,6-9H2,1H3,(H,18,22)(H,19,20)(H,21,24)
InChIKeyJACPCFVMQCNXNU-UHFFFAOYSA-N
MW1849.50 g/mol
LogP18.03
Rot. Bonds18

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide (PubChem CID 158856451) has the molecular formula C100H94ClN29O7 and a molecular weight of 1849.50 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
PubChem CID158856451
Molecular FormulaC100H94ClN29O7
Molecular Weight1849.50 g/mol
Exact Mass1847.76
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
SMILESCN1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)CC1.Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C)c1.Cc1cc(N2CCOCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(-c2cnco2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1Cl
InChIInChI=1S/C22H22N6O2.C21H19ClN6O.C20H14N6O2.C20H19N5O.C17H20N6O/c1-14-12-15(28-8-10-30-11-9-28)6-7-16(14)22(29)26-19-13-23-27-20(19)21-24-17-4-2-3-5-18(17)25-21;22-15-11-13(28-9-3-4-10-28)7-8-14(15)21(29)26-18-12-23-27-19(18)20-24-16-5-1-2-6-17(16)25-20;27-20(13-7-5-12(6-8-13)17-10-21-11-28-17)25-16-9-22-26-18(16)19-23-14-3-1-2-4-15(14)24-19;1-11-8-12(2)17(13(3)9-11)20(26)24-16-10-21-25-18(16)19-22-14-6-4-5-7-15(14)23-19;1-23-8-6-11(7-9-23)17(24)21-14-10-18-22-15(14)16-19-12-4-2-3-5-13(12)20-16/h2-7,12-13H,8-11H2,1H3,(H,23,27)(H,24,25)(H,26,29);1-2,5-8,11-12H,3-4,9-10H2,(H,23,27)(H,24,25)(H,26,29);1-11H,(H,22,26)(H,23,24)(H,25,27);4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26);2-5,10-11H,6-9H2,1H3,(H,18,22)(H,19,20)(H,21,24)
InChIKeyJACPCFVMQCNXNU-UHFFFAOYSA-N
XLogP18.03
TPSA477.28 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001849.50
LogP ≤ 518.03
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide 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-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide (CID 158856451) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide is CN1CCC(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)CC1.Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C)c1.Cc1cc(N2CCOCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(-c2cnco2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide?
The InChIKey is JACPCFVMQCNXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2.C21H19ClN6O.C20H14N6O2.C20H19N5O.C17H20N6O/c1-14-12-15(28-8-10-30-11-9-28)6-7-16(14)22(29)26-19-13-23-27-20(19)21-24-17-4-2-3-5-18(17)25-21;22-15-11-13(28-9-3-4-10-28)7-8-14(15)21(29)26-18-12-23-27-19(18)20-24-16-5-1-2-6-17(16)25-20;27-20(13-7-5-12(6-8-13)17-10-21-11-28-17)25-16-9-22-26-18(16)19-23-14-3-1-2-4-15(14)24-19;1-11-8-12(2)17(13(3)9-11)20(26)24-16-10-21-25-18(16)19-22-14-6-4-5-7-15(14)23-19;1-23-8-6-11(7-9-23)17(24)21-14-10-18-22-15(14)16-19-12-4-2-3-5-13(12)20-16/h2-7,12-13H,8-11H2,1H3,(H,23,27)(H,24,25)(H,26,29);1-2,5-8,11-12H,3-4,9-10H2,(H,23,27)(H,24,25)(H,26,29);1-11H,(H,22,26)(H,23,24)(H,25,27);4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26);2-5,10-11H,6-9H2,1H3,(H,18,22)(H,19,20)(H,21,24).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide has a molecular weight of 1849.50 g/mol, XLogP of 18.03, 18 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 158856451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).