1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

C34H43ClN4O2Si — CID 67703234

IUPAC1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc(-c2ccccc2)n(COCC[Si](C)(C)C)c1-c1ccccc1Cl
InChIInChI=1S/C34H43ClN4O2Si/c1-23(2)26-17-13-18-27(24(3)4)30(26)36-34(40)38-32-31(28-16-11-12-19-29(28)35)39(22-41-20-21-42(5,6)7)33(37-32)25-14-9-8-10-15-25/h8-19,23-24H,20-22H2,1-7H3,(H2,36,38,40)
InChIKeyARRQKIQBLODFEV-UHFFFAOYSA-N
MW603.28 g/mol
LogP10.07
Rot. Bonds11

About 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 67703234) has the molecular formula C34H43ClN4O2Si and a molecular weight of 603.28 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID67703234
Molecular FormulaC34H43ClN4O2Si
Molecular Weight603.28 g/mol
Exact Mass602.28
IUPAC Name1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc(-c2ccccc2)n(COCC[Si](C)(C)C)c1-c1ccccc1Cl
InChIInChI=1S/C34H43ClN4O2Si/c1-23(2)26-17-13-18-27(24(3)4)30(26)36-34(40)38-32-31(28-16-11-12-19-29(28)35)39(22-41-20-21-42(5,6)7)33(37-32)25-14-9-8-10-15-25/h8-19,23-24H,20-22H2,1-7H3,(H2,36,38,40)
InChIKeyARRQKIQBLODFEV-UHFFFAOYSA-N
XLogP10.07
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.28
LogP ≤ 510.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 18981995
1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 22437357
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-[4-(2-methylphenyl)-2-phenyl-1,3-oxazol-5-yl]urea
CID 67703235
trans-methyl (1S,2S)-2-[5-(4-methoxyphenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]cyclopropane-1-carboxylate
CID 59641866
2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59137278
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
[(1R)-1-(2-chlorophenyl)ethyl] N-[3-(4-bromophenyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 71267041
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113201411
2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide
CID 10006604
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea (CID 67703234) is 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc(-c2ccccc2)n(COCC[Si](C)(C)C)c1-c1ccccc1Cl.
What is the InChIKey of 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is ARRQKIQBLODFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43ClN4O2Si/c1-23(2)26-17-13-18-27(24(3)4)30(26)36-34(40)38-32-31(28-16-11-12-19-29(28)35)39(22-41-20-21-42(5,6)7)33(37-32)25-14-9-8-10-15-25/h8-19,23-24H,20-22H2,1-7H3,(H2,36,38,40).
What are the key properties of 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 603.28 g/mol, XLogP of 10.07, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 67703234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).