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'}

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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).