2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C94H69F10N25O11 — CID 157257034

IUPAC2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCC1(C)Oc2cc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3cc2O1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1OC.Cc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.Cc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)OCCO3)c1c(F)cccc1F
InChIInChI=1S/C20H15F2N5O3.C19H13F2N5O3.C19H15F2N5O3.2C18H13F2N5O/c1-20(2)29-14-6-11-12(7-15(14)30-20)25-18(24-11)17-13(8-23-27-17)26-19(28)16-9(21)4-3-5-10(16)22;20-9-2-1-3-10(21)16(9)19(27)25-13-8-22-26-17(13)18-23-11-6-14-15(7-12(11)24-18)29-5-4-28-14;1-28-14-6-11-12(7-15(14)29-2)24-18(23-11)17-13(8-22-26-17)25-19(27)16-9(20)4-3-5-10(16)21;1-9-4-2-7-12-15(9)24-17(22-12)16-13(8-21-25-16)23-18(26)14-10(19)5-3-6-11(14)20;1-9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20/h3-8H,1-2H3,(H,23,27)(H,24,25)(H,26,28);1-3,6-8H,4-5H2,(H,22,26)(H,23,24)(H,25,27);3-8H,1-2H3,(H,22,26)(H,23,24)(H,25,27);2-8H,1H3,(H,21,25)(H,22,24)(H,23,26);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyAWZVXLOTRZCFFA-UHFFFAOYSA-N
MW1914.73 g/mol
LogP18.33
Rot. Bonds17

About 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 157257034) has the molecular formula C94H69F10N25O11 and a molecular weight of 1914.73 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
PubChem CID157257034
Molecular FormulaC94H69F10N25O11
Molecular Weight1914.73 g/mol
Exact Mass1913.54
IUPAC Name2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCC1(C)Oc2cc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3cc2O1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1OC.Cc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.Cc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)OCCO3)c1c(F)cccc1F
InChIInChI=1S/C20H15F2N5O3.C19H13F2N5O3.C19H15F2N5O3.2C18H13F2N5O/c1-20(2)29-14-6-11-12(7-15(14)30-20)25-18(24-11)17-13(8-23-27-17)26-19(28)16-9(21)4-3-5-10(16)22;20-9-2-1-3-10(21)16(9)19(27)25-13-8-22-26-17(13)18-23-11-6-14-15(7-12(11)24-18)29-5-4-28-14;1-28-14-6-11-12(7-15(14)29-2)24-18(23-11)17-13(8-22-26-17)25-19(27)16-9(20)4-3-5-10(16)21;1-9-4-2-7-12-15(9)24-17(22-12)16-13(8-21-25-16)23-18(26)14-10(19)5-3-6-11(14)20;1-9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20/h3-8H,1-2H3,(H,23,27)(H,24,25)(H,26,28);1-3,6-8H,4-5H2,(H,22,26)(H,23,24)(H,25,27);3-8H,1-2H3,(H,22,26)(H,23,24)(H,25,27);2-8H,1H3,(H,21,25)(H,22,24)(H,23,26);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyAWZVXLOTRZCFFA-UHFFFAOYSA-N
XLogP18.33
TPSA487.68 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.73
LogP ≤ 518.33
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Analyze 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 157257034) is 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is CC1(C)Oc2cc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3cc2O1.COc1cc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2cc1OC.Cc1ccc2nc(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)[nH]c2c1.Cc1cccc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc12.O=C(Nc1cn[nH]c1-c1nc2cc3c(cc2[nH]1)OCCO3)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The InChIKey is AWZVXLOTRZCFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3.C19H13F2N5O3.C19H15F2N5O3.2C18H13F2N5O/c1-20(2)29-14-6-11-12(7-15(14)30-20)25-18(24-11)17-13(8-23-27-17)26-19(28)16-9(21)4-3-5-10(16)22;20-9-2-1-3-10(21)16(9)19(27)25-13-8-22-26-17(13)18-23-11-6-14-15(7-12(11)24-18)29-5-4-28-14;1-28-14-6-11-12(7-15(14)29-2)24-18(23-11)17-13(8-22-26-17)25-19(27)16-9(20)4-3-5-10(16)21;1-9-4-2-7-12-15(9)24-17(22-12)16-13(8-21-25-16)23-18(26)14-10(19)5-3-6-11(14)20;1-9-5-6-12-13(7-9)23-17(22-12)16-14(8-21-25-16)24-18(26)15-10(19)3-2-4-11(15)20/h3-8H,1-2H3,(H,23,27)(H,24,25)(H,26,28);1-3,6-8H,4-5H2,(H,22,26)(H,23,24)(H,25,27);3-8H,1-2H3,(H,22,26)(H,23,24)(H,25,27);2-8H,1H3,(H,21,25)(H,22,24)(H,23,26);2-8H,1H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 1914.73 g/mol, XLogP of 18.33, 17 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 157257034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).