1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole

C83H70N16O4 — CID 161317771

IUPAC1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(C)c(-c4nc5c(C)cccc5[nH]4)o3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)n(C)c2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5n4C)o3)[nH]c2c1
InChIInChI=1S/3C21H18N4O.C20H16N4O/c1-12-4-6-14-16(10-12)23-20(22-14)18-8-9-19(26-18)21-24-15-7-5-13(2)11-17(15)25(21)3;1-11-7-8-14-16(9-11)24-20(22-14)17-10-13(3)19(26-17)21-23-15-6-4-5-12(2)18(15)25-21;1-12-7-8-14-16(11-12)25(3)21(23-14)18-10-9-17(26-18)20-22-15-6-4-5-13(2)19(15)24-20;1-11-6-7-13-15(10-11)23-19(21-13)16-8-9-17(25-16)20-22-14-5-3-4-12(2)18(14)24-20/h4-11H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,24)(H,23,25);4-11H,1-3H3,(H,22,24);3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyVJSQCPHTHKNEBZ-UHFFFAOYSA-N
MW1355.58 g/mol
LogP20.26
Rot. Bonds8

About 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole

1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole (PubChem CID 161317771) has the molecular formula C83H70N16O4 and a molecular weight of 1355.58 g/mol. Its IUPAC name is 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole
PubChem CID161317771
Molecular FormulaC83H70N16O4
Molecular Weight1355.58 g/mol
Exact Mass1354.58
IUPAC Name1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(C)c(-c4nc5c(C)cccc5[nH]4)o3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)n(C)c2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5n4C)o3)[nH]c2c1
InChIInChI=1S/3C21H18N4O.C20H16N4O/c1-12-4-6-14-16(10-12)23-20(22-14)18-8-9-19(26-18)21-24-15-7-5-13(2)11-17(15)25(21)3;1-11-7-8-14-16(9-11)24-20(22-14)17-10-13(3)19(26-17)21-23-15-6-4-5-12(2)18(15)25-21;1-12-7-8-14-16(11-12)25(3)21(23-14)18-10-9-17(26-18)20-22-15-6-4-5-13(2)19(15)24-20;1-11-6-7-13-15(10-11)23-19(21-13)16-8-9-17(25-16)20-22-14-5-3-4-12(2)18(14)24-20/h4-11H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,24)(H,23,25);4-11H,1-3H3,(H,22,24);3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyVJSQCPHTHKNEBZ-UHFFFAOYSA-N
XLogP20.26
TPSA260.28 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001355.58
LogP ≤ 520.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole?
The IUPAC name of 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole (CID 161317771) is 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole is Cc1ccc2nc(-c3cc(C)c(-c4nc5c(C)cccc5[nH]4)o3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)[nH]c2c1.Cc1ccc2nc(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)n(C)c2c1.Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5n4C)o3)[nH]c2c1.
What is the InChIKey of 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole?
The InChIKey is VJSQCPHTHKNEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H18N4O.C20H16N4O/c1-12-4-6-14-16(10-12)23-20(22-14)18-8-9-19(26-18)21-24-15-7-5-13(2)11-17(15)25(21)3;1-11-7-8-14-16(9-11)24-20(22-14)17-10-13(3)19(26-17)21-23-15-6-4-5-12(2)18(15)25-21;1-12-7-8-14-16(11-12)25(3)21(23-14)18-10-9-17(26-18)20-22-15-6-4-5-13(2)19(15)24-20;1-11-6-7-13-15(10-11)23-19(21-13)16-8-9-17(25-16)20-22-14-5-3-4-12(2)18(14)24-20/h4-11H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,24)(H,23,25);4-11H,1-3H3,(H,22,24);3-10H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole?
1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole has a molecular weight of 1355.58 g/mol, XLogP of 20.26, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-[5-(4-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole;4-methyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole;4-methyl-2-[3-methyl-5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 161317771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).