5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C106H99N31O19 — CID 159523026

IUPAC5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cccc4nc(C)oc34)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nc4ncccn4n3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ncoc3-c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C24H27N5O4.C22H18N6O4.C21H18N6O4.C21H21N5O4.C18H15N9O3/c1-24(2,3)13-7-8-18(31-4)14(9-13)23(30)28-17-12-25-29-21(17)22-26-15-10-19(32-5)20(33-6)11-16(15)27-22;1-30-16-8-13-14(9-17(16)31-2)26-21(25-13)18-15(10-24-28-18)27-22(29)19-20(32-11-23-19)12-6-4-3-5-7-12;1-10-23-12-6-4-5-11(19(12)31-10)21(28)26-15-9-22-27-18(15)20-24-13-7-16(29-2)17(30-3)8-14(13)25-20;1-11-5-6-16(28-2)12(7-11)21(27)25-15-10-22-26-19(15)20-23-13-8-17(29-3)18(30-4)9-14(13)24-20;1-29-12-6-9-10(7-13(12)30-2)22-15(21-9)14-11(8-20-25-14)23-17(28)16-24-18-19-4-3-5-27(18)26-16/h7-12H,1-6H3,(H,25,29)(H,26,27)(H,28,30);3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29);4-9H,1-3H3,(H,22,27)(H,24,25)(H,26,28);5-10H,1-4H3,(H,22,26)(H,23,24)(H,25,27);3-8H,1-2H3,(H,20,25)(H,21,22)(H,23,28)
InChIKeyMCAUTSURBQPNJK-UHFFFAOYSA-N
MW2111.16 g/mol
LogP17.28
Rot. Bonds28

About 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 159523026) has the molecular formula C106H99N31O19 and a molecular weight of 2111.16 g/mol. Its IUPAC name is 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID159523026
Molecular FormulaC106H99N31O19
Molecular Weight2111.16 g/mol
Exact Mass2109.77
IUPAC Name5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cccc4nc(C)oc34)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nc4ncccn4n3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ncoc3-c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C24H27N5O4.C22H18N6O4.C21H18N6O4.C21H21N5O4.C18H15N9O3/c1-24(2,3)13-7-8-18(31-4)14(9-13)23(30)28-17-12-25-29-21(17)22-26-15-10-19(32-5)20(33-6)11-16(15)27-22;1-30-16-8-13-14(9-17(16)31-2)26-21(25-13)18-15(10-24-28-18)27-22(29)19-20(32-11-23-19)12-6-4-3-5-7-12;1-10-23-12-6-4-5-11(19(12)31-10)21(28)26-15-9-22-27-18(15)20-24-13-7-16(29-2)17(30-3)8-14(13)25-20;1-11-5-6-16(28-2)12(7-11)21(27)25-15-10-22-26-19(15)20-23-13-8-17(29-3)18(30-4)9-14(13)24-20;1-29-12-6-9-10(7-13(12)30-2)22-15(21-9)14-11(8-20-25-14)23-17(28)16-24-18-19-4-3-5-27(18)26-16/h7-12H,1-6H3,(H,25,29)(H,26,27)(H,28,30);3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29);4-9H,1-3H3,(H,22,27)(H,24,25)(H,26,28);5-10H,1-4H3,(H,22,26)(H,23,24)(H,25,27);3-8H,1-2H3,(H,20,25)(H,21,22)(H,23,28)
InChIKeyMCAUTSURBQPNJK-UHFFFAOYSA-N
XLogP17.28
TPSA638.20 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002111.16
LogP ≤ 517.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 159523026) is 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cccc4nc(C)oc34)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3nc4ncccn4n3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ncoc3-c3ccccc3)[nH]c2cc1OC.
What is the InChIKey of 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MCAUTSURBQPNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4.C22H18N6O4.C21H18N6O4.C21H21N5O4.C18H15N9O3/c1-24(2,3)13-7-8-18(31-4)14(9-13)23(30)28-17-12-25-29-21(17)22-26-15-10-19(32-5)20(33-6)11-16(15)27-22;1-30-16-8-13-14(9-17(16)31-2)26-21(25-13)18-15(10-24-28-18)27-22(29)19-20(32-11-23-19)12-6-4-3-5-7-12;1-10-23-12-6-4-5-11(19(12)31-10)21(28)26-15-9-22-27-18(15)20-24-13-7-16(29-2)17(30-3)8-14(13)25-20;1-11-5-6-16(28-2)12(7-11)21(27)25-15-10-22-26-19(15)20-23-13-8-17(29-3)18(30-4)9-14(13)24-20;1-29-12-6-9-10(7-13(12)30-2)22-15(21-9)14-11(8-20-25-14)23-17(28)16-24-18-19-4-3-5-27(18)26-16/h7-12H,1-6H3,(H,25,29)(H,26,27)(H,28,30);3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29);4-9H,1-3H3,(H,22,27)(H,24,25)(H,26,28);5-10H,1-4H3,(H,22,26)(H,23,24)(H,25,27);3-8H,1-2H3,(H,20,25)(H,21,22)(H,23,28).
What are the key properties of 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 2111.16 g/mol, XLogP of 17.28, 28 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 159523026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).