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

C99H83Cl2F2N29O7 — CID 158843775

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C)c1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(-c2cnco2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C21H19ClN6O2.C21H19ClN6O.C20H14N6O2.C20H19N5O.C17H12F2N6O/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;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;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/h1-6,11-12H,7-10H2,(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);1-8H,(H,20,25)(H,21,22)(H2,23,24,26)
InChIKeyIYOMPHCHLBTSAJ-UHFFFAOYSA-N
MW1899.85 g/mol
LogP20.02
Rot. Bonds18

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide (PubChem CID 158843775) has the molecular formula C99H83Cl2F2N29O7 and a molecular weight of 1899.85 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
PubChem CID158843775
Molecular FormulaC99H83Cl2F2N29O7
Molecular Weight1899.85 g/mol
Exact Mass1897.64
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C)c1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(-c2cnco2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C21H19ClN6O2.C21H19ClN6O.C20H14N6O2.C20H19N5O.C17H12F2N6O/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;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;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/h1-6,11-12H,7-10H2,(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);1-8H,(H,20,25)(H,21,22)(H2,23,24,26)
InChIKeyIYOMPHCHLBTSAJ-UHFFFAOYSA-N
XLogP20.02
TPSA486.07 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.85
LogP ≤ 520.02
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide (CID 158843775) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C)c1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(-c2cnco2)cc1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCCC2)cc1Cl.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-4-(1,3-oxazol-5-yl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzamide?
The InChIKey is IYOMPHCHLBTSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2.C21H19ClN6O.C20H14N6O2.C20H19N5O.C17H12F2N6O/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;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;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/h1-6,11-12H,7-10H2,(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);1-8H,(H,20,25)(H,21,22)(H2,23,24,26).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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 1899.85 g/mol, XLogP of 20.02, 18 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-chloro-4-morpholin-4-ylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-pyrrolidin-1-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]-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 158843775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).