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

C33H49N5O4Si — CID 90456459

IUPAC4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(CO)C3)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H49N5O4Si/c1-31(2)13-11-23(12-14-31)28-27(10-9-26(36-28)24-17-32(3,4)42-33(5,18-24)21-39)37-30(40)29-35-25(19-34)20-38(29)22-41-15-16-43(6,7)8/h9-11,20,24,39H,12-18,21-22H2,1-8H3,(H,37,40)
InChIKeyNGACCTDQQRNNMM-UHFFFAOYSA-N
MW607.87 g/mol
LogP6.73
Rot. Bonds10

About 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(hydroxymethyl)-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-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (PubChem CID 90456459) has the molecular formula C33H49N5O4Si and a molecular weight of 607.87 g/mol. Its IUPAC name is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(hydroxymethyl)-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-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
PubChem CID90456459
Molecular FormulaC33H49N5O4Si
Molecular Weight607.87 g/mol
Exact Mass607.36
IUPAC Name4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(CO)C3)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H49N5O4Si/c1-31(2)13-11-23(12-14-31)28-27(10-9-26(36-28)24-17-32(3,4)42-33(5,18-24)21-39)37-30(40)29-35-25(19-34)20-38(29)22-41-15-16-43(6,7)8/h9-11,20,24,39H,12-18,21-22H2,1-8H3,(H,37,40)
InChIKeyNGACCTDQQRNNMM-UHFFFAOYSA-N
XLogP6.73
TPSA122.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.87
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (CID 90456459) is 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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)(CO)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-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The InChIKey is NGACCTDQQRNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49N5O4Si/c1-31(2)13-11-23(12-14-31)28-27(10-9-26(36-28)24-17-32(3,4)42-33(5,18-24)21-39)37-30(40)29-35-25(19-34)20-38(29)22-41-15-16-43(6,7)8/h9-11,20,24,39H,12-18,21-22H2,1-8H3,(H,37,40).
What are the key properties of 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(hydroxymethyl)-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-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide has a molecular weight of 607.87 g/mol, XLogP of 6.73, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is sourced from PubChem (CID 90456459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).