4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C82H72N24O5S2 — CID 163817402

IUPAC4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cccc(CCc2nc(-c3ccc4ncc(C(N)=O)n4n3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1nc(-c2ccc3ncsc3c2)c(-c2ccn(C)n2)[nH]1.Cn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1.Cn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C25H26N8O.C21H16N6OS.C21H17N5O3.C15H13N5S/c1-15(2)32-12-11-19(30-32)24-23(18-8-10-22-27-14-20(25(26)34)33(22)31-18)28-21(29-24)9-7-17-6-4-5-16(3)13-17;1-27-9-8-16(26-27)19-18(14-6-7-15-17(10-14)29-11-23-15)24-21(25-19)13-4-2-12(3-5-13)20(22)28;1-26-9-8-15(25-26)19-18(14-6-7-16-17(10-14)29-11-28-16)23-21(24-19)13-4-2-12(3-5-13)20(22)27;1-9-17-14(15(18-9)12-5-6-20(2)19-12)10-3-4-11-13(7-10)21-8-16-11/h4-6,8,10-15H,7,9H2,1-3H3,(H2,26,34)(H,28,29);2-11H,1H3,(H2,22,28)(H,24,25);2-10H,11H2,1H3,(H2,22,27)(H,23,24);3-8H,1-2H3,(H,17,18)
InChIKeyNSMZOJMFMSBNHE-UHFFFAOYSA-N
MW1537.77 g/mol
LogP13.98
Rot. Bonds17

About 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 163817402) has the molecular formula C82H72N24O5S2 and a molecular weight of 1537.77 g/mol. Its IUPAC name is 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID163817402
Molecular FormulaC82H72N24O5S2
Molecular Weight1537.77 g/mol
Exact Mass1536.56
IUPAC Name4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cccc(CCc2nc(-c3ccc4ncc(C(N)=O)n4n3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1nc(-c2ccc3ncsc3c2)c(-c2ccn(C)n2)[nH]1.Cn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1.Cn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C25H26N8O.C21H16N6OS.C21H17N5O3.C15H13N5S/c1-15(2)32-12-11-19(30-32)24-23(18-8-10-22-27-14-20(25(26)34)33(22)31-18)28-21(29-24)9-7-17-6-4-5-16(3)13-17;1-27-9-8-16(26-27)19-18(14-6-7-15-17(10-14)29-11-23-15)24-21(25-19)13-4-2-12(3-5-13)20(22)28;1-26-9-8-15(25-26)19-18(14-6-7-16-17(10-14)29-11-28-16)23-21(24-19)13-4-2-12(3-5-13)20(22)27;1-9-17-14(15(18-9)12-5-6-20(2)19-12)10-3-4-11-13(7-10)21-8-16-11/h4-6,8,10-15H,7,9H2,1-3H3,(H2,26,34)(H,28,29);2-11H,1H3,(H2,22,28)(H,24,25);2-10H,11H2,1H3,(H2,22,27)(H,23,24);3-8H,1-2H3,(H,17,18)
InChIKeyNSMZOJMFMSBNHE-UHFFFAOYSA-N
XLogP13.98
TPSA389.70 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001537.77
LogP ≤ 513.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoic acid;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-1-methylpyrrole-2-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-phenylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(tetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 160748521
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)imidazole;1-(3-propan-2-ylphenyl)pyrazole;3-(3-propan-2-ylphenyl)pyridine;1-(3-propan-2-ylphenyl)tetrazole;1-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1,2,4-triazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one
CID 157187726
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,1,3-benzoxadiazole;2-propan-2-ylfuran;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)imidazole;1-(3-propan-2-ylphenyl)pyrazole;3-(3-propan-2-ylphenyl)pyridine;1-(3-propan-2-ylphenyl)tetrazole;1-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1,2,4-triazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one
CID 157550298
3-(1,3-benzodioxol-5-ylmethyl)-6-phenylimidazo[1,2-b]pyridazine;6-phenyl-3-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazine;bis(6-phenyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine);7-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]thieno[3,2-b]pyridine-2-carboxamide;5-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]isoquinoline
CID 158241838
4-[4-(3a,7a-dihydro-1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide)
CID 160388093

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 163817402) is 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cccc(CCc2nc(-c3ccc4ncc(C(N)=O)n4n3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1nc(-c2ccc3ncsc3c2)c(-c2ccn(C)n2)[nH]1.Cn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1.Cn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NSMZOJMFMSBNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O.C21H16N6OS.C21H17N5O3.C15H13N5S/c1-15(2)32-12-11-19(30-32)24-23(18-8-10-22-27-14-20(25(26)34)33(22)31-18)28-21(29-24)9-7-17-6-4-5-16(3)13-17;1-27-9-8-16(26-27)19-18(14-6-7-15-17(10-14)29-11-23-15)24-21(25-19)13-4-2-12(3-5-13)20(22)28;1-26-9-8-15(25-26)19-18(14-6-7-16-17(10-14)29-11-28-16)23-21(24-19)13-4-2-12(3-5-13)20(22)27;1-9-17-14(15(18-9)12-5-6-20(2)19-12)10-3-4-11-13(7-10)21-8-16-11/h4-6,8,10-15H,7,9H2,1-3H3,(H2,26,34)(H,28,29);2-11H,1H3,(H2,22,28)(H,24,25);2-10H,11H2,1H3,(H2,22,27)(H,23,24);3-8H,1-2H3,(H,17,18).
What are the key properties of 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1537.77 g/mol, XLogP of 13.98, 17 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzodioxol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]benzamide;6-[2-methyl-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 163817402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).