4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole

C126H95FN14S6 — CID 161175228

IUPAC4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole
SMILESCc1ccc(-c2cn(-c3ccc(C#N)cc3)c(-c3ccc(C)s3)n2)s1.Cc1ccc(-c2cn(-c3ccc(F)cc3)c(-c3ccccc3)n2)s1.Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)s1.Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccc4c5ccccc5n(C)c4c3)n2)s1.Cc1ccc(-c2cn(C)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)s1
InChIInChI=1S/C32H23N3S.2C27H21N3S.C20H15FN2S.C20H15N3S2/c1-22-16-19-31(36-22)28-21-34(24-10-4-2-5-11-24)32(33-28)23-17-18-27-26-14-8-9-15-29(26)35(30(27)20-23)25-12-6-3-7-13-25;1-18-12-15-26(31-18)23-17-30(20-8-4-3-5-9-20)27(28-23)19-13-14-22-21-10-6-7-11-24(21)29(2)25(22)16-19;1-18-12-15-26(31-18)23-17-29(2)27(28-23)19-13-14-22-21-10-6-7-11-24(21)30(25(22)16-19)20-8-4-3-5-9-20;1-14-7-12-19(24-14)18-13-23(17-10-8-16(21)9-11-17)20(22-18)15-5-3-2-4-6-15;1-13-3-9-18(24-13)17-12-23(16-7-5-15(11-21)6-8-16)20(22-17)19-10-4-14(2)25-19/h2-21H,1H3;2*3-17H,1-2H3;2-13H,1H3;3-10,12H,1-2H3
InChIKeyURSDCNHGLIFIMS-UHFFFAOYSA-N
MW2016.64 g/mol
LogP34.65
Rot. Bonds16

About 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole

4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole (PubChem CID 161175228) has the molecular formula C126H95FN14S6 and a molecular weight of 2016.64 g/mol. Its IUPAC name is 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole
PubChem CID161175228
Molecular FormulaC126H95FN14S6
Molecular Weight2016.64 g/mol
Exact Mass2014.62
IUPAC Name4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole
SMILESCc1ccc(-c2cn(-c3ccc(C#N)cc3)c(-c3ccc(C)s3)n2)s1.Cc1ccc(-c2cn(-c3ccc(F)cc3)c(-c3ccccc3)n2)s1.Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)s1.Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccc4c5ccccc5n(C)c4c3)n2)s1.Cc1ccc(-c2cn(C)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)s1
InChIInChI=1S/C32H23N3S.2C27H21N3S.C20H15FN2S.C20H15N3S2/c1-22-16-19-31(36-22)28-21-34(24-10-4-2-5-11-24)32(33-28)23-17-18-27-26-14-8-9-15-29(26)35(30(27)20-23)25-12-6-3-7-13-25;1-18-12-15-26(31-18)23-17-30(20-8-4-3-5-9-20)27(28-23)19-13-14-22-21-10-6-7-11-24(21)29(2)25(22)16-19;1-18-12-15-26(31-18)23-17-29(2)27(28-23)19-13-14-22-21-10-6-7-11-24(21)30(25(22)16-19)20-8-4-3-5-9-20;1-14-7-12-19(24-14)18-13-23(17-10-8-16(21)9-11-17)20(22-18)15-5-3-2-4-6-15;1-13-3-9-18(24-13)17-12-23(16-7-5-15(11-21)6-8-16)20(22-17)19-10-4-14(2)25-19/h2-21H,1H3;2*3-17H,1-2H3;2-13H,1H3;3-10,12H,1-2H3
InChIKeyURSDCNHGLIFIMS-UHFFFAOYSA-N
XLogP34.65
TPSA127.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.64
LogP ≤ 534.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole with MolForge

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Related Compounds

3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole
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4-[4-[6-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]benzonitrile
CID 176632587
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
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5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4-[2-chloro-6-[4-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]benzonitrile
CID 144600879
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole (CID 161175228) is 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole is Cc1ccc(-c2cn(-c3ccc(C#N)cc3)c(-c3ccc(C)s3)n2)s1.Cc1ccc(-c2cn(-c3ccc(F)cc3)c(-c3ccccc3)n2)s1.Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)s1.Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccc4c5ccccc5n(C)c4c3)n2)s1.Cc1ccc(-c2cn(C)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)s1.
What is the InChIKey of 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole?
The InChIKey is URSDCNHGLIFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3S.2C27H21N3S.C20H15FN2S.C20H15N3S2/c1-22-16-19-31(36-22)28-21-34(24-10-4-2-5-11-24)32(33-28)23-17-18-27-26-14-8-9-15-29(26)35(30(27)20-23)25-12-6-3-7-13-25;1-18-12-15-26(31-18)23-17-30(20-8-4-3-5-9-20)27(28-23)19-13-14-22-21-10-6-7-11-24(21)29(2)25(22)16-19;1-18-12-15-26(31-18)23-17-29(2)27(28-23)19-13-14-22-21-10-6-7-11-24(21)30(25(22)16-19)20-8-4-3-5-9-20;1-14-7-12-19(24-14)18-13-23(17-10-8-16(21)9-11-17)20(22-18)15-5-3-2-4-6-15;1-13-3-9-18(24-13)17-12-23(16-7-5-15(11-21)6-8-16)20(22-17)19-10-4-14(2)25-19/h2-21H,1H3;2*3-17H,1-2H3;2-13H,1H3;3-10,12H,1-2H3.
What are the key properties of 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole?
4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole has a molecular weight of 2016.64 g/mol, XLogP of 34.65, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 161175228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).