N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C77H66Cl2F4N24O4 — CID 159184971

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCN(Cc2cccc3[nH]c(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)nc23)CC1.O=C(Nc1cn[nH]c1-c1nc2c(CN3CCOCC3)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl.c1ccc(Nc2cn[nH]c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C23H23F2N7O.C22H20F2N6O2.C17H11Cl2N5O.C15H12N6/c1-31-8-10-32(11-9-31)13-14-4-2-7-17-20(14)29-22(27-17)21-18(12-26-30-21)28-23(33)19-15(24)5-3-6-16(19)25;23-14-4-2-5-15(24)18(14)22(31)27-17-11-25-29-20(17)21-26-16-6-1-3-13(19(16)28-21)12-30-7-9-32-10-8-30;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16;1-2-6-11-10(5-1)19-15(20-11)14-12(9-17-21-14)18-13-7-3-4-8-16-13/h2-7,12H,8-11,13H2,1H3,(H,26,30)(H,27,29)(H,28,33);1-6,11H,7-10,12H2,(H,25,29)(H,26,28)(H,27,31);1-8H,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,16,18)(H,17,21)(H,19,20)
InChIKeyKNJHACFVKBCXDC-UHFFFAOYSA-N
MW1538.44 g/mol
LogP14.15
Rot. Bonds16

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 159184971) has the molecular formula C77H66Cl2F4N24O4 and a molecular weight of 1538.44 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(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-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID159184971
Molecular FormulaC77H66Cl2F4N24O4
Molecular Weight1538.44 g/mol
Exact Mass1536.50
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCN(Cc2cccc3[nH]c(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)nc23)CC1.O=C(Nc1cn[nH]c1-c1nc2c(CN3CCOCC3)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl.c1ccc(Nc2cn[nH]c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C23H23F2N7O.C22H20F2N6O2.C17H11Cl2N5O.C15H12N6/c1-31-8-10-32(11-9-31)13-14-4-2-7-17-20(14)29-22(27-17)21-18(12-26-30-21)28-23(33)19-15(24)5-3-6-16(19)25;23-14-4-2-5-15(24)18(14)22(31)27-17-11-25-29-20(17)21-26-16-6-1-3-13(19(16)28-21)12-30-7-9-32-10-8-30;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16;1-2-6-11-10(5-1)19-15(20-11)14-12(9-17-21-14)18-13-7-3-4-8-16-13/h2-7,12H,8-11,13H2,1H3,(H,26,30)(H,27,29)(H,28,33);1-6,11H,7-10,12H2,(H,25,29)(H,26,28)(H,27,31);1-8H,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,16,18)(H,17,21)(H,19,20)
InChIKeyKNJHACFVKBCXDC-UHFFFAOYSA-N
XLogP14.15
TPSA360.61 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms111
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001538.44
LogP ≤ 514.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(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-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(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-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 159184971) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(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-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(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-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is CN1CCN(Cc2cccc3[nH]c(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)nc23)CC1.O=C(Nc1cn[nH]c1-c1nc2c(CN3CCOCC3)cccc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl.c1ccc(Nc2cn[nH]c2-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is KNJHACFVKBCXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O.C22H20F2N6O2.C17H11Cl2N5O.C15H12N6/c1-31-8-10-32(11-9-31)13-14-4-2-7-17-20(14)29-22(27-17)21-18(12-26-30-21)28-23(33)19-15(24)5-3-6-16(19)25;23-14-4-2-5-15(24)18(14)22(31)27-17-11-25-29-20(17)21-26-16-6-1-3-13(19(16)28-21)12-30-7-9-32-10-8-30;18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16;1-2-6-11-10(5-1)19-15(20-11)14-12(9-17-21-14)18-13-7-3-4-8-16-13/h2-7,12H,8-11,13H2,1H3,(H,26,30)(H,27,29)(H,28,33);1-6,11H,7-10,12H2,(H,25,29)(H,26,28)(H,27,31);1-8H,(H,20,24)(H,21,22)(H,23,25);1-9H,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 1538.44 g/mol, XLogP of 14.15, 16 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-dichlorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridin-2-amine;2,6-difluoro-N-[5-[4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 159184971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).