3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

C21H32N6O2Si — CID 170547516

IUPAC3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1cc(N)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
InChIInChI=1S/C21H32N6O2Si/c1-30(2,3)11-10-29-15-27-14-17(22)20(25-27)21-23-18-5-4-16(12-19(18)24-21)13-26-6-8-28-9-7-26/h4-5,12,14H,6-11,13,15,22H2,1-3H3,(H,23,24)
InChIKeyHRZJKMBRLWVGRP-UHFFFAOYSA-N
MW428.61 g/mol
LogP3.15
Rot. Bonds8

About 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 170547516) has the molecular formula C21H32N6O2Si and a molecular weight of 428.61 g/mol. Its IUPAC name is 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID170547516
Molecular FormulaC21H32N6O2Si
Molecular Weight428.61 g/mol
Exact Mass428.24
IUPAC Name3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1cc(N)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
InChIInChI=1S/C21H32N6O2Si/c1-30(2,3)11-10-29-15-27-14-17(22)20(25-27)21-23-18-5-4-16(12-19(18)24-21)13-26-6-8-28-9-7-26/h4-5,12,14H,6-11,13,15,22H2,1-3H3,(H,23,24)
InChIKeyHRZJKMBRLWVGRP-UHFFFAOYSA-N
XLogP3.15
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine 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

N-[3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 170547474
4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide
CID 173150473
N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 11568839
4-[[2-[5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-yl]-3H-benzimidazol-5-yl]methyl]morpholine
CID 71051988
1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 173046927
[1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea
CID 140589306
2-[[3-(1H-benzimidazol-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 141075677
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
2-(4-methylphenoxy)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 136508885
(1Z,3E,5E)-4-fluoro-2-[(E)-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]hepta-1,3,5-trien-1-amine
CID 154654544
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
(4-fluorophenyl)-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamic acid
CID 137061627

Frequently Asked Questions

What is the IUPAC name of 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 170547516) is 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is C[Si](C)(C)CCOCn1cc(N)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1.
What is the InChIKey of 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is HRZJKMBRLWVGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2Si/c1-30(2,3)11-10-29-15-27-14-17(22)20(25-27)21-23-18-5-4-16(12-19(18)24-21)13-26-6-8-28-9-7-26/h4-5,12,14H,6-11,13,15,22H2,1-3H3,(H,23,24).
What are the key properties of 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 428.61 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 170547516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).