1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole

C16H20F3N3O — CID 46309308

IUPAC1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCCOCCn1c(C2CCCN2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H20F3N3O/c1-2-23-9-8-22-14-6-5-11(16(17,18)19)10-13(14)21-15(22)12-4-3-7-20-12/h5-6,10,12,20H,2-4,7-9H2,1H3
InChIKeyPAZBWKPQXAOFQF-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole

1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 46309308) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID46309308
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCCOCCn1c(C2CCCN2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H20F3N3O/c1-2-23-9-8-22-14-6-5-11(16(17,18)19)10-13(14)21-15(22)12-4-3-7-20-12/h5-6,10,12,20H,2-4,7-9H2,1H3
InChIKeyPAZBWKPQXAOFQF-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
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1-[5-aminomethyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-ylmethyl]-3-isopropyl-1,3-dihydro-benzoimidazol-2-one
CID 11675820
2-(4-Benzyl-piperazin-1-yl)-1-(2-ethoxy-ethyl)-1H-benzoimidazole
CID 15585276
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole (CID 46309308) is 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole is CCOCCn1c(C2CCCN2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is PAZBWKPQXAOFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-2-23-9-8-22-14-6-5-11(16(17,18)19)10-13(14)21-15(22)12-4-3-7-20-12/h5-6,10,12,20H,2-4,7-9H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole?
1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 327.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46309308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).