1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole

C19H19F3N2O — CID 46308540

IUPAC1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
SMILESCOCCCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2O/c1-13-6-3-4-7-15(13)18-23-16-12-14(19(20,21)22)8-9-17(16)24(18)10-5-11-25-2/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyONHNANILINATLY-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.07
Rot. Bonds5

About 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole

1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46308540) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46308540
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
SMILESCOCCCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H19F3N2O/c1-13-6-3-4-7-15(13)18-23-16-12-14(19(20,21)22)8-9-17(16)24(18)10-5-11-25-2/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyONHNANILINATLY-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.07
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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Related Compounds

2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
2-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazole
CID 46309081
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515
1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46309907
[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide
CID 158004110
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
1-(3-ethoxypropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46308658
2-(2-ethylsulfonylphenyl)-1-methyl-5-(trifluoromethyl)benzimidazole
CID 67984963
3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole (CID 46308540) is 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole is COCCCn1c(-c2ccccc2C)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is ONHNANILINATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-6-3-4-7-15(13)18-23-16-12-14(19(20,21)22)8-9-17(16)24(18)10-5-11-25-2/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole?
1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 348.37 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46308540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).