4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide

C33H48FN5O3Si — CID 172628479

IUPAC4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(CF)C3)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H48FN5O3Si/c1-31(2)13-11-23(12-14-31)28-27(10-9-26(37-28)24-17-32(3,4)42-33(5,18-24)21-34)38-30(40)29-36-25(19-35)20-39(29)22-41-15-16-43(6,7)8/h9-11,20,24H,12-18,21-22H2,1-8H3,(H,38,40)
InChIKeyJSNJRRVZTSPIFO-UHFFFAOYSA-N
MW609.86 g/mol
LogP7.71
Rot. Bonds10

About 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide

4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (PubChem CID 172628479) has the molecular formula C33H48FN5O3Si and a molecular weight of 609.86 g/mol. Its IUPAC name is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
PubChem CID172628479
Molecular FormulaC33H48FN5O3Si
Molecular Weight609.86 g/mol
Exact Mass609.35
IUPAC Name4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(CF)C3)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H48FN5O3Si/c1-31(2)13-11-23(12-14-31)28-27(10-9-26(37-28)24-17-32(3,4)42-33(5,18-24)21-34)38-30(40)29-36-25(19-35)20-39(29)22-41-15-16-43(6,7)8/h9-11,20,24H,12-18,21-22H2,1-8H3,(H,38,40)
InChIKeyJSNJRRVZTSPIFO-UHFFFAOYSA-N
XLogP7.71
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.86
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (CID 172628479) is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(CF)C3)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1.
What is the InChIKey of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The InChIKey is JSNJRRVZTSPIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48FN5O3Si/c1-31(2)13-11-23(12-14-31)28-27(10-9-26(37-28)24-17-32(3,4)42-33(5,18-24)21-34)38-30(40)29-36-25(19-35)20-39(29)22-41-15-16-43(6,7)8/h9-11,20,24H,12-18,21-22H2,1-8H3,(H,38,40).
What are the key properties of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide has a molecular weight of 609.86 g/mol, XLogP of 7.71, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(fluoromethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is sourced from PubChem (CID 172628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).