N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide

C22H28FN3O3Si — CID 171799542

IUPACN-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)c3ncn(COCC[Si](C)(C)C)c3c2)ccc1F
InChIInChI=1S/C22H28FN3O3Si/c1-15-10-16(22(27)25-17-6-7-18(23)20(12-17)28-2)11-19-21(15)24-13-26(19)14-29-8-9-30(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3,(H,25,27)
InChIKeyPANUNSRKLWXYOT-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.06
Rot. Bonds8

About N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide

N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide (PubChem CID 171799542) has the molecular formula C22H28FN3O3Si and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide
PubChem CID171799542
Molecular FormulaC22H28FN3O3Si
Molecular Weight429.57 g/mol
Exact Mass429.19
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)c3ncn(COCC[Si](C)(C)C)c3c2)ccc1F
InChIInChI=1S/C22H28FN3O3Si/c1-15-10-16(22(27)25-17-6-7-18(23)20(12-17)28-2)11-19-21(15)24-13-26(19)14-29-8-9-30(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3,(H,25,27)
InChIKeyPANUNSRKLWXYOT-UHFFFAOYSA-N
XLogP5.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide 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

2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
1-(4-chlorophenyl)-3-[[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]carbamoyl]pyrazole-4-carboxylic acid
CID 68734365
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide (CID 171799542) is N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide is COc1cc(NC(=O)c2cc(C)c3ncn(COCC[Si](C)(C)C)c3c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
The InChIKey is PANUNSRKLWXYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3Si/c1-15-10-16(22(27)25-17-6-7-18(23)20(12-17)28-2)11-19-21(15)24-13-26(19)14-29-8-9-30(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3,(H,25,27).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide?
N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 171799542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).