2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole

C94H63F5N12 — CID 157287750

IUPAC2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1cc(-c3nc4cc(C(F)(F)F)ccc4n3-c3ccccc3)cc(-c3nc4ccc(C)cc4n3-c3ccccc3)c1)n2-c1ccccc1.Cc1ccc2nc(-c3cc(-c4nc5ccc(F)cc5n4-c4ccccc4)cc(-c4nc5ccc(F)cc5n4-c4ccccc4)c3)n(-c3ccccc3)c2c1
InChIInChI=1S/C48H33F3N6.C46H30F2N6/c1-30-19-22-42-40(24-30)53-46(55(42)36-12-6-3-7-13-36)33-26-32(45-52-39-21-18-31(2)25-44(39)57(45)38-16-10-5-11-17-38)27-34(28-33)47-54-41-29-35(48(49,50)51)20-23-43(41)56(47)37-14-8-4-9-15-37;1-29-17-20-38-41(23-29)52(35-11-5-2-6-12-35)44(49-38)30-24-31(45-50-39-21-18-33(47)27-42(39)53(45)36-13-7-3-8-14-36)26-32(25-30)46-51-40-22-19-34(48)28-43(40)54(46)37-15-9-4-10-16-37/h3-29H,1-2H3;2-28H,1H3
InChIKeyBAKZPNPUYAIBDF-UHFFFAOYSA-N
MW1455.61 g/mol
LogP23.63
Rot. Bonds12

About 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole

2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole (PubChem CID 157287750) has the molecular formula C94H63F5N12 and a molecular weight of 1455.61 g/mol. Its IUPAC name is 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
PubChem CID157287750
Molecular FormulaC94H63F5N12
Molecular Weight1455.61 g/mol
Exact Mass1454.52
IUPAC Name2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1cc(-c3nc4cc(C(F)(F)F)ccc4n3-c3ccccc3)cc(-c3nc4ccc(C)cc4n3-c3ccccc3)c1)n2-c1ccccc1.Cc1ccc2nc(-c3cc(-c4nc5ccc(F)cc5n4-c4ccccc4)cc(-c4nc5ccc(F)cc5n4-c4ccccc4)c3)n(-c3ccccc3)c2c1
InChIInChI=1S/C48H33F3N6.C46H30F2N6/c1-30-19-22-42-40(24-30)53-46(55(42)36-12-6-3-7-13-36)33-26-32(45-52-39-21-18-31(2)25-44(39)57(45)38-16-10-5-11-17-38)27-34(28-33)47-54-41-29-35(48(49,50)51)20-23-43(41)56(47)37-14-8-4-9-15-37;1-29-17-20-38-41(23-29)52(35-11-5-2-6-12-35)44(49-38)30-24-31(45-50-39-21-18-33(47)27-42(39)53(45)36-13-7-3-8-14-36)26-32(25-30)46-51-40-22-19-34(48)28-43(40)54(46)37-15-9-4-10-16-37/h3-29H,1-2H3;2-28H,1H3
InChIKeyBAKZPNPUYAIBDF-UHFFFAOYSA-N
XLogP23.63
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.61
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzimidazolium, tris(1-dodecyl-3-methyl-2-phenyl-, ferricyanide
CID 81692
N,N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 335974
1,3,5-Tris(phenyl-2-benzimidazolyl)-benzene
CID 21932919
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
2-[2-[4-[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 10507886
5,5'-[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl-1H-benzimidazole]
CID 66629958
CID 101913111
CID 101913111
2-(4-(9h-Carbazol-9-yl)phenyl)-1-(3,5-difluorophenyl)-1h-phenanthro[9,10-d]imidazole
CID 171118274
2-[3,5-Bis(1-methylbenzimidazol-2-yl)phenyl]-1-methylbenzimidazole
CID 59342697
4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-1-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propylbenzimidazole
CID 9916555
disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)
CID 139129189
6-Tert-butyl-1-naphthalen-1-yl-2-(trifluoromethyl)benzimidazole
CID 168333793

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole (CID 157287750) is 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole is Cc1ccc2c(c1)nc(-c1cc(-c3nc4cc(C(F)(F)F)ccc4n3-c3ccccc3)cc(-c3nc4ccc(C)cc4n3-c3ccccc3)c1)n2-c1ccccc1.Cc1ccc2nc(-c3cc(-c4nc5ccc(F)cc5n4-c4ccccc4)cc(-c4nc5ccc(F)cc5n4-c4ccccc4)c3)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is BAKZPNPUYAIBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33F3N6.C46H30F2N6/c1-30-19-22-42-40(24-30)53-46(55(42)36-12-6-3-7-13-36)33-26-32(45-52-39-21-18-31(2)25-44(39)57(45)38-16-10-5-11-17-38)27-34(28-33)47-54-41-29-35(48(49,50)51)20-23-43(41)56(47)37-14-8-4-9-15-37;1-29-17-20-38-41(23-29)52(35-11-5-2-6-12-35)44(49-38)30-24-31(45-50-39-21-18-33(47)27-42(39)53(45)36-13-7-3-8-14-36)26-32(25-30)46-51-40-22-19-34(48)28-43(40)54(46)37-15-9-4-10-16-37/h3-29H,1-2H3;2-28H,1H3.
What are the key properties of 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole?
2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 1455.61 g/mol, XLogP of 23.63, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(6-fluoro-1-phenylbenzimidazol-2-yl)phenyl]-6-methyl-1-phenylbenzimidazole;2-[3-(5-methyl-1-phenylbenzimidazol-2-yl)-5-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 157287750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).