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

C14H17F3N2O2 — CID 46308515

IUPAC2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
SMILESCOCCCn1c(COC)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2O2/c1-20-7-3-6-19-12-5-4-10(14(15,16)17)8-11(12)18-13(19)9-21-2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyZIJJXJWOEKNJTN-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.24
Rot. Bonds6

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

2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46308515) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46308515
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
SMILESCOCCCn1c(COC)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2O2/c1-20-7-3-6-19-12-5-4-10(14(15,16)17)8-11(12)18-13(19)9-21-2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyZIJJXJWOEKNJTN-UHFFFAOYSA-N
XLogP3.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46308922
4-[3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]morpholine
CID 46309462
1-(3-methoxypropyl)-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46308540
[1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]azanide
CID 158004110
1-(3-ethoxypropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46308658
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
1-(3-ethoxypropyl)-2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazole
CID 46308666
2-[(4-chlorophenyl)sulfanylmethyl]-1-(3-ethoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308669
N-butyl-N-[3-[2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]butan-1-amine
CID 46309609
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 155544312
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309723

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole (CID 46308515) is 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole is COCCCn1c(COC)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is ZIJJXJWOEKNJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-20-7-3-6-19-12-5-4-10(14(15,16)17)8-11(12)18-13(19)9-21-2/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole?
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 302.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46308515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).