N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide

C35H50ClN3O3Si2 — CID 175998129

IUPACN-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide
SMILESCOc1ccc(N(C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C)C(c2ccccc2)c2nccn2COCC[Si](C)(C)C)cc1Cl
InChIInChI=1S/C35H50ClN3O3Si2/c1-26(2)44(27(3)4,28(5)6)22-18-33(40)39(30-16-17-32(41-7)31(36)24-30)34(29-14-12-11-13-15-29)35-37-19-20-38(35)25-42-21-23-43(8,9)10/h11-17,19-20,24,26-28,34H,21,23,25H2,1-10H3
InChIKeyXOYWZWKVRVSBFM-UHFFFAOYSA-N
MW652.43 g/mol
LogP9.20
Rot. Bonds13

About N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide

N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide (PubChem CID 175998129) has the molecular formula C35H50ClN3O3Si2 and a molecular weight of 652.43 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide
PubChem CID175998129
Molecular FormulaC35H50ClN3O3Si2
Molecular Weight652.43 g/mol
Exact Mass651.31
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide
SMILESCOc1ccc(N(C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C)C(c2ccccc2)c2nccn2COCC[Si](C)(C)C)cc1Cl
InChIInChI=1S/C35H50ClN3O3Si2/c1-26(2)44(27(3)4,28(5)6)22-18-33(40)39(30-16-17-32(41-7)31(36)24-30)34(29-14-12-11-13-15-29)35-37-19-20-38(35)25-42-21-23-43(8,9)10/h11-17,19-20,24,26-28,34H,21,23,25H2,1-10H3
InChIKeyXOYWZWKVRVSBFM-UHFFFAOYSA-N
XLogP9.20
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.43
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 174251990
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027
(3-chloro-4-phenoxyphenyl)-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 170669754
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 94026966
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
CID 125066082
N-[1-(3-aminophenyl)-2-(benzylamino)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)prop-2-ynamide
CID 166634980
1-[3-chloro-4-(trifluoromethoxy)-N-[3-tri(propan-2-yl)silylprop-2-ynoyl]anilino]cyclohexane-1-carboxylic acid
CID 171849148
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125088242
2-(3-chloro-4-methoxyphenyl)-2-[(1-ethylimidazole-2-carbonyl)amino]acetic acid
CID 167927222
1-(2-methoxyethoxymethyl)-2-propan-2-ylimidazole
CID 90402630
2-(3-chloro-4-methoxyphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 72837719
1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797792

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide (CID 175998129) is N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide is COc1ccc(N(C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C)C(c2ccccc2)c2nccn2COCC[Si](C)(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide?
The InChIKey is XOYWZWKVRVSBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50ClN3O3Si2/c1-26(2)44(27(3)4,28(5)6)22-18-33(40)39(30-16-17-32(41-7)31(36)24-30)34(29-14-12-11-13-15-29)35-37-19-20-38(35)25-42-21-23-43(8,9)10/h11-17,19-20,24,26-28,34H,21,23,25H2,1-10H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide?
N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide has a molecular weight of 652.43 g/mol, XLogP of 9.20, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-[phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]-3-tri(propan-2-yl)silylprop-2-ynamide is sourced from PubChem (CID 175998129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).