N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine

C28H41N3O2Si — CID 69148848

IUPACN-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine
SMILESCCCN(CCc1ccc(Oc2nc3ccccc3n2COCC[Si](C)(C)C)cc1)CC1CC1
InChIInChI=1S/C28H41N3O2Si/c1-5-17-30(21-24-10-11-24)18-16-23-12-14-25(15-13-23)33-28-29-26-8-6-7-9-27(26)31(28)22-32-19-20-34(2,3)4/h6-9,12-15,24H,5,10-11,16-22H2,1-4H3
InChIKeyLUKSQCCFCHCLAI-UHFFFAOYSA-N
MW479.74 g/mol
LogP6.81
Rot. Bonds14

About N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine

N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine (PubChem CID 69148848) has the molecular formula C28H41N3O2Si and a molecular weight of 479.74 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine
PubChem CID69148848
Molecular FormulaC28H41N3O2Si
Molecular Weight479.74 g/mol
Exact Mass479.30
IUPAC NameN-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine
SMILESCCCN(CCc1ccc(Oc2nc3ccccc3n2COCC[Si](C)(C)C)cc1)CC1CC1
InChIInChI=1S/C28H41N3O2Si/c1-5-17-30(21-24-10-11-24)18-16-23-12-14-25(15-13-23)33-28-29-26-8-6-7-9-27(26)31(28)22-32-19-20-34(2,3)4/h6-9,12-15,24H,5,10-11,16-22H2,1-4H3
InChIKeyLUKSQCCFCHCLAI-UHFFFAOYSA-N
XLogP6.81
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.74
LogP ≤ 56.81
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine (CID 69148848) is N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine is CCCN(CCc1ccc(Oc2nc3ccccc3n2COCC[Si](C)(C)C)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine?
The InChIKey is LUKSQCCFCHCLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2Si/c1-5-17-30(21-24-10-11-24)18-16-23-12-14-25(15-13-23)33-28-29-26-8-6-7-9-27(26)31(28)22-32-19-20-34(2,3)4/h6-9,12-15,24H,5,10-11,16-22H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine has a molecular weight of 479.74 g/mol, XLogP of 6.81, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 69148848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).