1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole

C24H23F3N2O — CID 46308666

IUPAC1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole
SMILESCCOCCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H23F3N2O/c1-2-30-14-6-13-29-22-12-11-19(24(25,26)27)16-21(22)28-23(29)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-12,16H,2,6,13-15H2,1H3
InChIKeyRZIDAELUMXCRPM-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.23
Rot. Bonds7

About 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole

1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46308666) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46308666
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole
SMILESCCOCCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H23F3N2O/c1-2-30-14-6-13-29-22-12-11-19(24(25,26)27)16-21(22)28-23(29)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-12,16H,2,6,13-15H2,1H3
InChIKeyRZIDAELUMXCRPM-UHFFFAOYSA-N
XLogP6.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole (CID 46308666) is 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole is CCOCCCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is RZIDAELUMXCRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c1-2-30-14-6-13-29-22-12-11-19(24(25,26)27)16-21(22)28-23(29)15-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-12,16H,2,6,13-15H2,1H3.
What are the key properties of 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole?
1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 412.46 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46308666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).