4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide

C22H29N5O2Si — CID 58754861

IUPAC4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc1cccnc1C1=CCCCC1
InChIInChI=1S/C22H29N5O2Si/c1-30(2,3)13-12-29-16-27-15-18(14-23)25-21(27)22(28)26-19-10-7-11-24-20(19)17-8-5-4-6-9-17/h7-8,10-11,15H,4-6,9,12-13,16H2,1-3H3,(H,26,28)
InChIKeyGYWZTWZTWYVAEB-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.67
Rot. Bonds8

About 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide

4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (PubChem CID 58754861) has the molecular formula C22H29N5O2Si and a molecular weight of 423.59 g/mol. Its IUPAC name is 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
PubChem CID58754861
Molecular FormulaC22H29N5O2Si
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc1cccnc1C1=CCCCC1
InChIInChI=1S/C22H29N5O2Si/c1-30(2,3)13-12-29-16-27-15-18(14-23)25-21(27)22(28)26-19-10-7-11-24-20(19)17-8-5-4-6-9-17/h7-8,10-11,15H,4-6,9,12-13,16H2,1-3H3,(H,26,28)
InChIKeyGYWZTWZTWYVAEB-UHFFFAOYSA-N
XLogP4.67
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide with MolForge

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Related Compounds

4-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde
CID 158666624
tert-butyl 2-[4-[[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]-3-(cyclohexen-1-yl)phenyl]piperidine-1-carboxylate
CID 162690456
5-cyano-N-[4-[2-(cyanoamino)-1,4,5,6-tetrahydropyrimidin-5-yl]-2-(cyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 160599718
2-[2-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
CID 58386997
4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(fluoromethyl)-5-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 172628645
tert-butyl 4-[5-[2-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-oxoethyl]-6-(cyclohexen-1-yl)-2-pyridinyl]piperidine-1-carboxylate
CID 160992227
CID 143800967
CID 143800967
butyl 4-[5-[[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]-2,6,6-trimethyloxane-2-carboxylate
CID 90456921
4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 172628499
methyl 4-[4-[[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxane-4-carboxylate
CID 58994985
4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 58754822
tert-butyl 3-[5-[[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CID 172628444

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (CID 58754861) is 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc1cccnc1C1=CCCCC1.
What is the InChIKey of 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The InChIKey is GYWZTWZTWYVAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2Si/c1-30(2,3)13-12-29-16-27-15-18(14-23)25-21(27)22(28)26-19-10-7-11-24-20(19)17-8-5-4-6-9-17/h7-8,10-11,15H,4-6,9,12-13,16H2,1-3H3,(H,26,28).
What are the key properties of 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide has a molecular weight of 423.59 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is sourced from PubChem (CID 58754861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).