N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide

C100H79ClF2N32O9S2 — CID 158534944

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide
SMILESCc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1sccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccoc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccsc1
InChIInChI=1S/C21H19ClN6O2.C17H12F2N6O.C16H13N5O2.C16H13N5OS.C15H11N5O2.C15H11N5OS/c22-15-11-13(28-7-9-30-10-8-28)5-6-14(15)21(29)26-18-12-23-27-19(18)20-24-16-3-1-2-4-17(16)25-20;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;1-9-10(6-7-23-9)16(22)20-13-8-17-21-14(13)15-18-11-4-2-3-5-12(11)19-15;2*21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h1-6,11-12H,7-10H2,(H,23,27)(H,24,25)(H,26,29);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2*2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1-8H,(H,16,20)(H,17,18)(H,19,21)
InChIKeyHNVDOPUKFPFBLQ-UHFFFAOYSA-N
MW2010.53 g/mol
LogP20.32
Rot. Bonds19

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 158534944) has the molecular formula C100H79ClF2N32O9S2 and a molecular weight of 2010.53 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide
PubChem CID158534944
Molecular FormulaC100H79ClF2N32O9S2
Molecular Weight2010.53 g/mol
Exact Mass2008.58
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide
SMILESCc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1sccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccoc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccsc1
InChIInChI=1S/C21H19ClN6O2.C17H12F2N6O.C16H13N5O2.C16H13N5OS.C15H11N5O2.C15H11N5OS/c22-15-11-13(28-7-9-30-10-8-28)5-6-14(15)21(29)26-18-12-23-27-19(18)20-24-16-3-1-2-4-17(16)25-20;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;1-9-10(6-7-23-9)16(22)20-13-8-17-21-14(13)15-18-11-4-2-3-5-12(11)19-15;2*21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h1-6,11-12H,7-10H2,(H,23,27)(H,24,25)(H,26,29);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2*2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1-8H,(H,16,20)(H,17,18)(H,19,21)
InChIKeyHNVDOPUKFPFBLQ-UHFFFAOYSA-N
XLogP20.32
TPSA569.54 Ų
H-Bond Donors19
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.53
LogP ≤ 520.32
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1024

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide 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-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide (CID 158534944) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide is Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1sccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccoc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccsc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is HNVDOPUKFPFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2.C17H12F2N6O.C16H13N5O2.C16H13N5OS.C15H11N5O2.C15H11N5OS/c22-15-11-13(28-7-9-30-10-8-28)5-6-14(15)21(29)26-18-12-23-27-19(18)20-24-16-3-1-2-4-17(16)25-20;18-9-4-3-5-10(19)14(9)24-17(26)23-13-8-20-25-15(13)16-21-11-6-1-2-7-12(11)22-16;1-9-6-7-23-14(9)16(22)20-12-8-17-21-13(12)15-18-10-4-2-3-5-11(10)19-15;1-9-10(6-7-23-9)16(22)20-13-8-17-21-14(13)15-18-11-4-2-3-5-12(11)19-15;2*21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h1-6,11-12H,7-10H2,(H,23,27)(H,24,25)(H,26,29);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2*2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1-8H,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 2010.53 g/mol, XLogP of 20.32, 19 rotatable bonds, 19 hydrogen bond donors, and 24 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-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 158534944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).