4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide

C33H51N5O3Si — CID 71021206

IUPAC4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)C2=NC(C#N)CN2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H51N5O3Si/c1-31(2)14-12-23(13-15-31)28-27(11-10-26(36-28)24-18-32(3,4)41-33(5,6)19-24)37-30(39)29-35-25(20-34)21-38(29)22-40-16-17-42(7,8)9/h10-12,24-25H,13-19,21-22H2,1-9H3,(H,37,39)
InChIKeyPBANAYSOADFLEI-UHFFFAOYSA-N
MW593.89 g/mol
LogP6.98
Rot. Bonds9

About 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide

4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide (PubChem CID 71021206) has the molecular formula C33H51N5O3Si and a molecular weight of 593.89 g/mol. Its IUPAC name is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide
PubChem CID71021206
Molecular FormulaC33H51N5O3Si
Molecular Weight593.89 g/mol
Exact Mass593.38
IUPAC Name4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)C2=NC(C#N)CN2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H51N5O3Si/c1-31(2)14-12-23(13-15-31)28-27(11-10-26(36-28)24-18-32(3,4)41-33(5,6)19-24)37-30(39)29-35-25(20-34)21-38(29)22-40-16-17-42(7,8)9/h10-12,24-25H,13-19,21-22H2,1-9H3,(H,37,39)
InChIKeyPBANAYSOADFLEI-UHFFFAOYSA-N
XLogP6.98
TPSA99.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.89
LogP ≤ 56.98
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-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-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-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide (CID 71021206) is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide is CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)C2=NC(C#N)CN2COCC[Si](C)(C)C)CC1.
What is the InChIKey of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide?
The InChIKey is PBANAYSOADFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N5O3Si/c1-31(2)14-12-23(13-15-31)28-27(11-10-26(36-28)24-18-32(3,4)41-33(5,6)19-24)37-30(39)29-35-25(20-34)21-38(29)22-40-16-17-42(7,8)9/h10-12,24-25H,13-19,21-22H2,1-9H3,(H,37,39).
What are the key properties of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide?
4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide has a molecular weight of 593.89 g/mol, XLogP of 6.98, 9 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-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)-4,5-dihydroimidazole-2-carboxamide is sourced from PubChem (CID 71021206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).