(2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile

C16H18N4 — CID 122433485

IUPAC(2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile
SMILESCc1cc(C)c(N2C(C#N)=C(C#N)N(C)[C@@H]2C)c(C)c1
InChIInChI=1S/C16H18N4/c1-10-6-11(2)16(12(3)7-10)20-13(4)19(5)14(8-17)15(20)9-18/h6-7,13H,1-5H3/t13-/m0/s1
InChIKeyNFCQJZJCECZQLM-ZDUSSCGKSA-N
MW266.35 g/mol
LogP2.97
Rot. Bonds1

About (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile

(2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile (PubChem CID 122433485) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile
PubChem CID122433485
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile
SMILESCc1cc(C)c(N2C(C#N)=C(C#N)N(C)[C@@H]2C)c(C)c1
InChIInChI=1S/C16H18N4/c1-10-6-11(2)16(12(3)7-10)20-13(4)19(5)14(8-17)15(20)9-18/h6-7,13H,1-5H3/t13-/m0/s1
InChIKeyNFCQJZJCECZQLM-ZDUSSCGKSA-N
XLogP2.97
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.97
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-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
The IUPAC name of (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile (CID 122433485) is (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile is Cc1cc(C)c(N2C(C#N)=C(C#N)N(C)[C@@H]2C)c(C)c1.
What is the InChIKey of (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
The InChIKey is NFCQJZJCECZQLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-6-11(2)16(12(3)7-10)20-13(4)19(5)14(8-17)15(20)9-18/h6-7,13H,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile?
(2S)-1,2-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.97, 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-(2,4,6-trimethylphenyl)-2H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 122433485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).