(2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile

C17H20N4 — CID 122433384

IUPAC(2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile
SMILESCc1cc(N2C(C#N)=C(C#N)N(C)[C@@H]2C)c(C)c(C)c1C
InChIInChI=1S/C17H20N4/c1-10-7-15(13(4)12(3)11(10)2)21-14(5)20(6)16(8-18)17(21)9-19/h7,14H,1-6H3/t14-/m0/s1
InChIKeyZQXBCJUNWVCDGS-AWEZNQCLSA-N
MW280.38 g/mol
LogP3.28
Rot. Bonds1

About (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile

(2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile (PubChem CID 122433384) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile
PubChem CID122433384
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name(2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile
SMILESCc1cc(N2C(C#N)=C(C#N)N(C)[C@@H]2C)c(C)c(C)c1C
InChIInChI=1S/C17H20N4/c1-10-7-15(13(4)12(3)11(10)2)21-14(5)20(6)16(8-18)17(21)9-19/h7,14H,1-6H3/t14-/m0/s1
InChIKeyZQXBCJUNWVCDGS-AWEZNQCLSA-N
XLogP3.28
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
The IUPAC name of (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile (CID 122433384) is (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile is Cc1cc(N2C(C#N)=C(C#N)N(C)[C@@H]2C)c(C)c(C)c1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
The InChIKey is ZQXBCJUNWVCDGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4/c1-10-7-15(13(4)12(3)11(10)2)21-14(5)20(6)16(8-18)17(21)9-19/h7,14H,1-6H3/t14-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
(2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(2,3,4,5-tetramethylphenyl)-2H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 122433384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).