[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane

C20H21ClN6Si — CID 140710238

IUPAC[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1n[nH]nc1-c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H21ClN6Si/c1-28(2,3)20-19(24-26-25-20)14-8-9-22-17(10-14)18-12-27(13-23-18)11-15-6-4-5-7-16(15)21/h4-10,12-13H,11H2,1-3H3,(H,24,25,26)
InChIKeyWNHKMCWLDXXPDE-UHFFFAOYSA-N
MW408.97 g/mol
LogP3.98
Rot. Bonds5

About [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane

[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane (PubChem CID 140710238) has the molecular formula C20H21ClN6Si and a molecular weight of 408.97 g/mol. Its IUPAC name is [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane
PubChem CID140710238
Molecular FormulaC20H21ClN6Si
Molecular Weight408.97 g/mol
Exact Mass408.13
IUPAC Name[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1n[nH]nc1-c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H21ClN6Si/c1-28(2,3)20-19(24-26-25-20)14-8-9-22-17(10-14)18-12-27(13-23-18)11-15-6-4-5-7-16(15)21/h4-10,12-13H,11H2,1-3H3,(H,24,25,26)
InChIKeyWNHKMCWLDXXPDE-UHFFFAOYSA-N
XLogP3.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-Chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine
CID 24745333
N-(2-chloro-4-fluorobenzyl)-2,3-dimethyl-6-(1H-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
CID 44583632
US10273222, Example 62
CID 90407594
3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
CID 118978773
3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
CID 118978820
3-chloro-5-imidazol-1-yl-2-[2-methyl-4-(2H-tetrazol-5-yl)phenyl]pyridine
CID 118978832
2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
CID 118978848
2-(2-(6-chloropyridin-3-yl)-4-p-tolyl-1H-imidazol-1-yl)ethanamine
CID 25163038
p38|A inhibitor 8
CID 76325315
2-[1-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-5-nitroimidazol-1-yl]ethyl]triazol-4-yl]pyridine
CID 145982621
1-[(4-Chlorophenyl)-[5-(4-chlorophenyl)-1-prop-2-enylpyrrol-3-yl]methyl]imidazole
CID 155554863
1-[(4-Chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole
CID 155560551

Frequently Asked Questions

What is the IUPAC name of [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane?
The IUPAC name of [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane (CID 140710238) is [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane.
What is the SMILES notation for [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane?
The canonical SMILES for [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane is C[Si](C)(C)c1n[nH]nc1-c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1.
What is the InChIKey of [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane?
The InChIKey is WNHKMCWLDXXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6Si/c1-28(2,3)20-19(24-26-25-20)14-8-9-22-17(10-14)18-12-27(13-23-18)11-15-6-4-5-7-16(15)21/h4-10,12-13H,11H2,1-3H3,(H,24,25,26).
What are the key properties of [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane?
[5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane has a molecular weight of 408.97 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2H-triazol-4-yl]-trimethylsilane is sourced from PubChem (CID 140710238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).