(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile

C115H101N15O2 — CID 160726858

IUPAC(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile
SMILESCc1cc(-c2ccccc2)ccc1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1cc2c(cc1N1c3cccc(C#N)c3N(C)[C@@H]1C)oc1ccccc12.Cc1ccc(-c2ccccc2)cc1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1cccc(-c2ccccc2)c1N1c2cccc(C#N)c2N(C)[C@@H]1C
InChIInChI=1S/2C23H19N3O.3C23H21N3/c1-14-11-18-17-8-4-5-10-21(17)27-22(18)12-20(14)26-15(2)25(3)23-16(13-24)7-6-9-19(23)26;1-14-11-12-18-17-8-4-5-10-20(17)27-23(18)21(14)26-15(2)25(3)22-16(13-24)7-6-9-19(22)26;1-16-9-7-13-20(18-10-5-4-6-11-18)22(16)26-17(2)25(3)23-19(15-24)12-8-14-21(23)26;1-16-14-19(18-8-5-4-6-9-18)12-13-21(16)26-17(2)25(3)23-20(15-24)10-7-11-22(23)26;1-16-12-13-19(18-8-5-4-6-9-18)14-22(16)26-17(2)25(3)23-20(15-24)10-7-11-21(23)26/h2*4-12,15H,1-3H3;3*4-14,17H,1-3H3/t2*15-;3*17-/m00000/s1
InChIKeyRTVAOUIMZBLOFG-ZQFNIVIISA-N
MW1725.18 g/mol
LogP27.80
Rot. Bonds8

About (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile

(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile (PubChem CID 160726858) has the molecular formula C115H101N15O2 and a molecular weight of 1725.18 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile
PubChem CID160726858
Molecular FormulaC115H101N15O2
Molecular Weight1725.18 g/mol
Exact Mass1723.83
IUPAC Name(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile
SMILESCc1cc(-c2ccccc2)ccc1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1cc2c(cc1N1c3cccc(C#N)c3N(C)[C@@H]1C)oc1ccccc12.Cc1ccc(-c2ccccc2)cc1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1cccc(-c2ccccc2)c1N1c2cccc(C#N)c2N(C)[C@@H]1C
InChIInChI=1S/2C23H19N3O.3C23H21N3/c1-14-11-18-17-8-4-5-10-21(17)27-22(18)12-20(14)26-15(2)25(3)23-16(13-24)7-6-9-19(23)26;1-14-11-12-18-17-8-4-5-10-20(17)27-23(18)21(14)26-15(2)25(3)22-16(13-24)7-6-9-19(22)26;1-16-9-7-13-20(18-10-5-4-6-11-18)22(16)26-17(2)25(3)23-19(15-24)12-8-14-21(23)26;1-16-14-19(18-8-5-4-6-9-18)12-13-21(16)26-17(2)25(3)23-20(15-24)10-7-11-22(23)26;1-16-12-13-19(18-8-5-4-6-9-18)14-22(16)26-17(2)25(3)23-20(15-24)10-7-11-21(23)26/h2*4-12,15H,1-3H3;3*4-14,17H,1-3H3/t2*15-;3*17-/m00000/s1
InChIKeyRTVAOUIMZBLOFG-ZQFNIVIISA-N
XLogP27.80
TPSA177.63 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.18
LogP ≤ 527.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile with MolForge

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Related Compounds

(2S)-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4-carbonitrile
CID 122429245
bis((2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole);(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;(2R)-1-(3,5-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 159836234
(2S)-5-isocyano-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile
CID 153430545
(2S)-2,3-dimethyl-1-(2,4,6-trimethylphenyl)-2H-benzimidazole-4-carbonitrile
CID 122428932
5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 161013324
(2S)-4-isocyano-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 153430535
(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
CID 122433252
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile
CID 146354609
(2S)-1,2-dimethyl-3-(6-methyl-[1]benzofuro[2,3-b]pyridin-7-yl)-2H-benzimidazole-4,5-dicarbonitrile
CID 122433397
bis(3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine
CID 162296577

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile?
The IUPAC name of (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile (CID 160726858) is (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile.
What is the SMILES notation for (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile?
The canonical SMILES for (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile is Cc1cc(-c2ccccc2)ccc1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1cc2c(cc1N1c3cccc(C#N)c3N(C)[C@@H]1C)oc1ccccc12.Cc1ccc(-c2ccccc2)cc1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1ccc2c(oc3ccccc32)c1N1c2cccc(C#N)c2N(C)[C@@H]1C.Cc1cccc(-c2ccccc2)c1N1c2cccc(C#N)c2N(C)[C@@H]1C.
What is the InChIKey of (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile?
The InChIKey is RTVAOUIMZBLOFG-ZQFNIVIISA-N. The full InChI is InChI=1S/2C23H19N3O.3C23H21N3/c1-14-11-18-17-8-4-5-10-21(17)27-22(18)12-20(14)26-15(2)25(3)23-16(13-24)7-6-9-19(23)26;1-14-11-12-18-17-8-4-5-10-20(17)27-23(18)21(14)26-15(2)25(3)22-16(13-24)7-6-9-19(22)26;1-16-9-7-13-20(18-10-5-4-6-11-18)22(16)26-17(2)25(3)23-19(15-24)12-8-14-21(23)26;1-16-14-19(18-8-5-4-6-9-18)12-13-21(16)26-17(2)25(3)23-20(15-24)10-7-11-22(23)26;1-16-12-13-19(18-8-5-4-6-9-18)14-22(16)26-17(2)25(3)23-20(15-24)10-7-11-21(23)26/h2*4-12,15H,1-3H3;3*4-14,17H,1-3H3/t2*15-;3*17-/m00000/s1.
What are the key properties of (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile?
(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile has a molecular weight of 1725.18 g/mol, XLogP of 27.80, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 160726858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).