4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole

C172H133F3N12 — CID 163757880

IUPAC4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.[2H]C([2H])(Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(C)(C)C.[2H]C1(Cc2cccc3c2nc2n(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4ccccc4n32)CCCC1.c1ccc2c(c1)-c1ccccc1-c1ccc(-n3c4ccccc4n4c5cccc(CC6CCCC6)c5nc34)cc1-c1ccccc1-2
InChIInChI=1S/C43H32F3N3.2C43H33N3.C43H35N3/c1-42(2,43(44,45)46)25-24-27-12-11-21-39-40(27)47-41-48(37-19-9-10-20-38(37)49(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)26-28;2*1-2-13-28(12-1)26-29-14-11-23-41-42(29)44-43-45(39-21-9-10-22-40(39)46(41)43)30-24-25-37-35-19-6-5-17-33(35)31-15-3-4-16-32(31)34-18-7-8-20-36(34)38(37)27-30;1-43(2,3)26-25-28-13-12-22-40-41(28)44-42-45(38-20-10-11-21-39(38)46(40)42)29-23-24-36-34-18-7-6-16-32(34)30-14-4-5-15-31(30)33-17-8-9-19-35(33)37(36)27-29/h3-23,26H,24-25H2,1-2H3;2*3-11,14-25,27-28H,1-2,12-13,26H2;4-24,27H,25-26H2,1-3H3/b31-29-,32-30-,35-33-,36-34-;2*33-31-,34-32-,37-35-,38-36-;32-30-,33-31-,36-34-,37-35-/i;28D;;26D2
InChIKeyLVQRLJARSUFWCK-QVXCDDNCSA-N
MW2428.05 g/mol
LogP45.62
Rot. Bonds13

About 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole

4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 163757880) has the molecular formula C172H133F3N12 and a molecular weight of 2428.05 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID163757880
Molecular FormulaC172H133F3N12
Molecular Weight2428.05 g/mol
Exact Mass2426.09
IUPAC Name4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.[2H]C([2H])(Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(C)(C)C.[2H]C1(Cc2cccc3c2nc2n(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4ccccc4n32)CCCC1.c1ccc2c(c1)-c1ccccc1-c1ccc(-n3c4ccccc4n4c5cccc(CC6CCCC6)c5nc34)cc1-c1ccccc1-2
InChIInChI=1S/C43H32F3N3.2C43H33N3.C43H35N3/c1-42(2,43(44,45)46)25-24-27-12-11-21-39-40(27)47-41-48(37-19-9-10-20-38(37)49(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)26-28;2*1-2-13-28(12-1)26-29-14-11-23-41-42(29)44-43-45(39-21-9-10-22-40(39)46(41)43)30-24-25-37-35-19-6-5-17-33(35)31-15-3-4-16-32(31)34-18-7-8-20-36(34)38(37)27-30;1-43(2,3)26-25-28-13-12-22-40-41(28)44-42-45(38-20-10-11-21-39(38)46(40)42)29-23-24-36-34-18-7-6-16-32(34)30-14-4-5-15-31(30)33-17-8-9-19-35(33)37(36)27-29/h3-23,26H,24-25H2,1-2H3;2*3-11,14-25,27-28H,1-2,12-13,26H2;4-24,27H,25-26H2,1-3H3/b31-29-,32-30-,35-33-,36-34-;2*33-31-,34-32-,37-35-,38-36-;32-30-,33-31-,36-34-,37-35-/i;28D;;26D2
InChIKeyLVQRLJARSUFWCK-QVXCDDNCSA-N
XLogP45.62
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002428.05
LogP ≤ 545.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole (CID 163757880) is 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole is CC(C)(CCc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(F)(F)F.[2H]C([2H])(Cc1cccc2c1nc1n(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n21)C(C)(C)C.[2H]C1(Cc2cccc3c2nc2n(-c4ccc5c(c4)-c4ccccc4-c4ccccc4-c4ccccc4-5)c4ccccc4n32)CCCC1.c1ccc2c(c1)-c1ccccc1-c1ccc(-n3c4ccccc4n4c5cccc(CC6CCCC6)c5nc34)cc1-c1ccccc1-2.
What is the InChIKey of 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is LVQRLJARSUFWCK-QVXCDDNCSA-N. The full InChI is InChI=1S/C43H32F3N3.2C43H33N3.C43H35N3/c1-42(2,43(44,45)46)25-24-27-12-11-21-39-40(27)47-41-48(37-19-9-10-20-38(37)49(39)41)28-22-23-35-33-17-6-5-15-31(33)29-13-3-4-14-30(29)32-16-7-8-18-34(32)36(35)26-28;2*1-2-13-28(12-1)26-29-14-11-23-41-42(29)44-43-45(39-21-9-10-22-40(39)46(41)43)30-24-25-37-35-19-6-5-17-33(35)31-15-3-4-16-32(31)34-18-7-8-20-36(34)38(37)27-30;1-43(2,3)26-25-28-13-12-22-40-41(28)44-42-45(38-20-10-11-21-39(38)46(40)42)29-23-24-36-34-18-7-6-16-32(34)30-14-4-5-15-31(30)33-17-8-9-19-35(33)37(36)27-29/h3-23,26H,24-25H2,1-2H3;2*3-11,14-25,27-28H,1-2,12-13,26H2;4-24,27H,25-26H2,1-3H3/b31-29-,32-30-,35-33-,36-34-;2*33-31-,34-32-,37-35-,38-36-;32-30-,33-31-,36-34-,37-35-/i;28D;;26D2.
What are the key properties of 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole?
4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 2428.05 g/mol, XLogP of 45.62, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 163757880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).