5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole

C18H15F3N2O — CID 134083831

IUPAC5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
SMILESC=CCn1c(-c2ccc(C(F)(F)F)cc2)nc2cc(OC)ccc21
InChIInChI=1S/C18H15F3N2O/c1-3-10-23-16-9-8-14(24-2)11-15(16)22-17(23)12-4-6-13(7-5-12)18(19,20)21/h3-9,11H,1,10H2,2H3
InChIKeyDKACJVYMTGWMFR-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.92
Rot. Bonds4

About 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole

5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole (PubChem CID 134083831) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
PubChem CID134083831
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
SMILESC=CCn1c(-c2ccc(C(F)(F)F)cc2)nc2cc(OC)ccc21
InChIInChI=1S/C18H15F3N2O/c1-3-10-23-16-9-8-14(24-2)11-15(16)22-17(23)12-4-6-13(7-5-12)18(19,20)21/h3-9,11H,1,10H2,2H3
InChIKeyDKACJVYMTGWMFR-UHFFFAOYSA-N
XLogP4.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)aniline
CID 82334365
2-(chloromethyl)-5-methoxy-1-prop-2-enylbenzimidazole
CID 82334561
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
CID 84571434
1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134083798
1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
CID 82334391
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)propanoic acid
CID 82334264
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-prop-2-enylbenzimidazole
CID 134084152
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
CID 104698565
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine
CID 82332204
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole?
The IUPAC name of 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole (CID 134083831) is 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole.
What is the SMILES notation for 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole?
The canonical SMILES for 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole is C=CCn1c(-c2ccc(C(F)(F)F)cc2)nc2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole?
The InChIKey is DKACJVYMTGWMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-3-10-23-16-9-8-14(24-2)11-15(16)22-17(23)12-4-6-13(7-5-12)18(19,20)21/h3-9,11H,1,10H2,2H3.
What are the key properties of 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole?
5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole has a molecular weight of 332.33 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole is sourced from PubChem (CID 134083831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).