CID 143800967

C27H35N4O4SSi — CID 143800967

IUPAC—
SMILESC[Si](C)CCOCn1cc(C#N)nc1C(=O)Nc1ccc(C2CCS(=O)(=O)CC2)cc1C1=CCCCC1
InChIInChI=1S/C27H35N4O4SSi/c1-37(2)15-12-35-19-31-18-23(17-28)29-26(31)27(32)30-25-9-8-22(20-10-13-36(33,34)14-11-20)16-24(25)21-6-4-3-5-7-21/h6,8-9,16,18,20H,3-5,7,10-15,19H2,1-2H3,(H,30,32)
InChIKeyVIFVDTKZAFQCAX-UHFFFAOYSA-N
MW539.75 g/mol
LogP4.99
Rot. Bonds9

About CID 143800967

CID 143800967 (PubChem CID 143800967) has the molecular formula C27H35N4O4SSi and a molecular weight of 539.75 g/mol.

Molecular Properties

Compound NameCID 143800967
PubChem CID143800967
Molecular FormulaC27H35N4O4SSi
Molecular Weight539.75 g/mol
Exact Mass539.21
IUPAC Name—
SMILESC[Si](C)CCOCn1cc(C#N)nc1C(=O)Nc1ccc(C2CCS(=O)(=O)CC2)cc1C1=CCCCC1
InChIInChI=1S/C27H35N4O4SSi/c1-37(2)15-12-35-19-31-18-23(17-28)29-26(31)27(32)30-25-9-8-22(20-10-13-36(33,34)14-11-20)16-24(25)21-6-4-3-5-7-21/h6,8-9,16,18,20H,3-5,7,10-15,19H2,1-2H3,(H,30,32)
InChIKeyVIFVDTKZAFQCAX-UHFFFAOYSA-N
XLogP4.99
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.75
LogP ≤ 54.99
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'}

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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-[2-(cyclohexen-1-yl)-4-(1,1-dioxothian-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 70850156
4-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1-sulfanylimidazole-2-carboxamide
CID 71073253
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
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
4-cyano-N-[2-(cyclohexen-1-yl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 58754861
5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 160858228
tert-butyl 4-[4-[2-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]piperidine-1-carboxylate
CID 160559957
2-[2-[2-(cyclohexen-1-yl)-4-[1-(4-hydroxybutanoyl)piperidin-4-yl]phenyl]acetyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carbonitrile
CID 148905535
methyl 2-[4-[[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxane-4-carboxylate
CID 154390346
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 89298027

Frequently Asked Questions

What is the IUPAC name of CID 143800967?
The IUPAC name of CID 143800967 (CID 143800967) is not available.
What is the SMILES notation for CID 143800967?
The canonical SMILES for CID 143800967 is C[Si](C)CCOCn1cc(C#N)nc1C(=O)Nc1ccc(C2CCS(=O)(=O)CC2)cc1C1=CCCCC1.
What is the InChIKey of CID 143800967?
The InChIKey is VIFVDTKZAFQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N4O4SSi/c1-37(2)15-12-35-19-31-18-23(17-28)29-26(31)27(32)30-25-9-8-22(20-10-13-36(33,34)14-11-20)16-24(25)21-6-4-3-5-7-21/h6,8-9,16,18,20H,3-5,7,10-15,19H2,1-2H3,(H,30,32).
What are the key properties of CID 143800967?
CID 143800967 has a molecular weight of 539.75 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143800967 is sourced from PubChem (CID 143800967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).