4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole

C105H79ClF4N26O2 — CID 158274704

About 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole

4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 158274704) has the molecular formula C105H79ClF4N26O2 and a molecular weight of 1848.41 g/mol. Its IUPAC name is 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
• PubChem CID: 158274704
• Molecular Formula: C105H79ClF4N26O2
• Molecular Weight: 1848.41 g/mol
• Exact Mass: 1846.65
• IUPAC Name: 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
• SMILES: Cc1ccc(-c2ncn(Cc3cc(C)on3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3c2C=CC3)cc1Cl.Fc1ccc(-c2ncn(Cc3ccco3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cn[nH]n3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ncn[nH]3)c2-c2ccnc3[nH]ccc23)cc1
• InChI: InChI=1S/C24H17ClFN3.C22H19N5O.C21H15FN4O.2C19H14FN7/c25-20-13-17(9-10-21(20)26)23-24(19-11-12-27-22-8-4-7-18(19)22)29(15-28-23)14-16-5-2-1-3-6-16;1-14-3-5-16(6-4-14)20-21(18-7-9-23-22-19(18)8-10-24-22)27(13-25-20)12-17-11-15(2)28-26-17;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16;20-13-3-1-12(2-4-13)17-18(15-5-7-21-19-16(15)6-8-22-19)27(11-23-17)10-14-9-24-26-25-14;20-13-3-1-12(2-4-13)17-18(14-5-7-21-19-15(14)6-8-22-19)27(11-24-17)9-16-23-10-25-26-16/h1-7,9-13,15H,8,14H2;3-11,13H,12H2,1-2H3,(H,23,24);1-11,13H,12H2,(H,23,24);1-9,11H,10H2,(H,21,22)(H,24,25,26);1-8,10-11H,9H2,(H,21,22)(H,23,25,26)
• InChIKey: GJLRSKCHKOQACG-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 339.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1848.41
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?

The IUPAC name of 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 158274704) is 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.

What is the SMILES notation for 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?

The canonical SMILES for 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is Cc1ccc(-c2ncn(Cc3cc(C)on3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3c2C=CC3)cc1Cl.Fc1ccc(-c2ncn(Cc3ccco3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3cn[nH]n3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ncn[nH]3)c2-c2ccnc3[nH]ccc23)cc1.

What is the InChIKey of 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?

The InChIKey is GJLRSKCHKOQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3.C22H19N5O.C21H15FN4O.2C19H14FN7/c25-20-13-17(9-10-21(20)26)23-24(19-11-12-27-22-8-4-7-18(19)22)29(15-28-23)14-16-5-2-1-3-6-16;1-14-3-5-16(6-4-14)20-21(18-7-9-23-22-19(18)8-10-24-22)27(13-25-20)12-17-11-15(2)28-26-17;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16;20-13-3-1-12(2-4-13)17-18(15-5-7-21-19-16(15)6-8-22-19)27(11-23-17)10-14-9-24-26-25-14;20-13-3-1-12(2-4-13)17-18(14-5-7-21-19-15(14)6-8-22-19)27(11-24-17)9-16-23-10-25-26-16/h1-7,9-13,15H,8,14H2;3-11,13H,12H2,1-2H3,(H,23,24);1-11,13H,12H2,(H,23,24);1-9,11H,10H2,(H,21,22)(H,24,25,26);1-8,10-11H,9H2,(H,21,22)(H,23,25,26).

What are the key properties of 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?

4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 1848.41 g/mol, XLogP of 22.44, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 158274704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).