bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide

C105H90F2N32O7 — CID 159829573

IUPACbis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide
SMILESCC1=C(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)C=CC1.Cc1cc(N2CCCCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F
InChIInChI=1S/C23H24N6O.C17H12F2N6O.C17H15N5O.C16H13N5O2.2C16H13N5O/c1-15-13-16(29-11-5-2-6-12-29)9-10-17(15)23(30)27-20-14-24-28-21(20)22-25-18-7-3-4-8-19(18)26-22;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;1-10-5-4-6-11(10)17(23)21-14-9-18-22-15(14)16-19-12-7-2-3-8-13(12)20-16;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;2*22-16(10-5-1-2-6-10)20-13-9-17-21-14(13)15-18-11-7-3-4-8-12(11)19-15/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,28)(H,25,26)(H,27,30);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2-4,6-9H,5H2,1H3,(H,18,22)(H,19,20)(H,21,23);2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1,3-9H,2H2,(H,17,21)(H,18,19)(H,20,22)
InChIKeyNNHCRXBZXLXQTO-UHFFFAOYSA-N
MW1950.09 g/mol
LogP20.21
Rot. Bonds19

About bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide

bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide (PubChem CID 159829573) has the molecular formula C105H90F2N32O7 and a molecular weight of 1950.09 g/mol. Its IUPAC name is bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Namebis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide
PubChem CID159829573
Molecular FormulaC105H90F2N32O7
Molecular Weight1950.09 g/mol
Exact Mass1948.76
IUPAC Namebis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide
SMILESCC1=C(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)C=CC1.Cc1cc(N2CCCCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F
InChIInChI=1S/C23H24N6O.C17H12F2N6O.C17H15N5O.C16H13N5O2.2C16H13N5O/c1-15-13-16(29-11-5-2-6-12-29)9-10-17(15)23(30)27-20-14-24-28-21(20)22-25-18-7-3-4-8-19(18)26-22;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;1-10-5-4-6-11(10)17(23)21-14-9-18-22-15(14)16-19-12-7-2-3-8-13(12)20-16;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;2*22-16(10-5-1-2-6-10)20-13-9-17-21-14(13)15-18-11-7-3-4-8-12(11)19-15/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,28)(H,25,26)(H,27,30);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2-4,6-9H,5H2,1H3,(H,18,22)(H,19,20)(H,21,23);2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1,3-9H,2H2,(H,17,21)(H,18,19)(H,20,22)
InChIKeyNNHCRXBZXLXQTO-UHFFFAOYSA-N
XLogP20.21
TPSA547.17 Ų
H-Bond Donors19
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001950.09
LogP ≤ 520.21
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1020

Analyze bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide?
The IUPAC name of bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide (CID 159829573) is bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide.
What is the SMILES notation for bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide?
The canonical SMILES for bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide is CC1=C(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)C=CC1.Cc1cc(N2CCCCC2)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1ccoc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)C1=CCC=C1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)Nc1c(F)cccc1F.
What is the InChIKey of bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide?
The InChIKey is NNHCRXBZXLXQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.C17H12F2N6O.C17H15N5O.C16H13N5O2.2C16H13N5O/c1-15-13-16(29-11-5-2-6-12-29)9-10-17(15)23(30)27-20-14-24-28-21(20)22-25-18-7-3-4-8-19(18)26-22;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;1-10-5-4-6-11(10)17(23)21-14-9-18-22-15(14)16-19-12-7-2-3-8-13(12)20-16;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;2*22-16(10-5-1-2-6-10)20-13-9-17-21-14(13)15-18-11-7-3-4-8-12(11)19-15/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,28)(H,25,26)(H,27,30);1-8H,(H,20,25)(H,21,22)(H2,23,24,26);2-4,6-9H,5H2,1H3,(H,18,22)(H,19,20)(H,21,23);2-8H,1H3,(H,17,21)(H,18,19)(H,20,22);2*1,3-9H,2H2,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide?
bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide has a molecular weight of 1950.09 g/mol, XLogP of 20.21, 19 rotatable bonds, 19 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide);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]-2-methylcyclopenta-1,4-diene-1-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-methyl-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 159829573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).