(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile

C19H19N3 — CID 122433594

IUPAC(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile
SMILESCc1ccc(-c2ccccc2)cc1N1C=C(C#N)N(C)[C@@H]1C
InChIInChI=1S/C19H19N3/c1-14-9-10-17(16-7-5-4-6-8-16)11-19(14)22-13-18(12-20)21(3)15(22)2/h4-11,13,15H,1-3H3/t15-/m0/s1
InChIKeyFIZZWJGVTDMEGC-HNNXBMFYSA-N
MW289.38 g/mol
LogP4.12
Rot. Bonds2

About (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile

(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile (PubChem CID 122433594) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile
PubChem CID122433594
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile
SMILESCc1ccc(-c2ccccc2)cc1N1C=C(C#N)N(C)[C@@H]1C
InChIInChI=1S/C19H19N3/c1-14-9-10-17(16-7-5-4-6-8-16)11-19(14)22-13-18(12-20)21(3)15(22)2/h4-11,13,15H,1-3H3/t15-/m0/s1
InChIKeyFIZZWJGVTDMEGC-HNNXBMFYSA-N
XLogP4.12
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile
CID 122433291
(2S)-5-isocyano-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile
CID 153430545
(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-imidazole-4-carbonitrile
CID 122433178
(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole
CID 166737224
2,3-dimethyl-5-phenyl-2H-1,3-benzoxazole
CID 23446366
2-methyl-3-(2-methyl-5-phenylphenyl)-1-phenyl-4,5,6,7-tetrahydro-2H-imidazo[4,5-b]pyrazine
CID 171620853
5,10-dimethyl-2-phenylphenazine
CID 22055373
2-(3-methylpiperidin-1-yl)-4-phenylbenzonitrile
CID 171037824
2-[(3S)-3-aminopyrrolidin-1-yl]-4-phenylbenzonitrile;hydrochloride
CID 67060561
(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-4-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2-methyl-5-phenylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,4,6-tetramethylphenyl)-2H-imidazole;(2S)-4-isocyano-1,2-dimethyl-3-(2,3,5,6-tetramethylphenyl)-2H-imidazole
CID 159888722
(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
1,4-dimethyl-2-(2-methyl-5-phenylphenyl)-2-azabicyclo[2.2.2]octane
CID 165013318

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile?
The IUPAC name of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile (CID 122433594) is (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile.
What is the SMILES notation for (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile?
The canonical SMILES for (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile is Cc1ccc(-c2ccccc2)cc1N1C=C(C#N)N(C)[C@@H]1C.
What is the InChIKey of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile?
The InChIKey is FIZZWJGVTDMEGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3/c1-14-9-10-17(16-7-5-4-6-8-16)11-19(14)22-13-18(12-20)21(3)15(22)2/h4-11,13,15H,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile?
(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile is sourced from PubChem (CID 122433594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).