1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole

C11H7F3N2 — CID 134298689

IUPAC1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole
SMILESC#CCn1cnc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H7F3N2/c1-2-5-16-7-15-9-6-8(11(12,13)14)3-4-10(9)16/h1,3-4,6-7H,5H2
InChIKeyDFUOJFWKAZWHKD-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.69
Rot. Bonds1

About 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole

1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole (PubChem CID 134298689) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole
PubChem CID134298689
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole
SMILESC#CCn1cnc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H7F3N2/c1-2-5-16-7-15-9-6-8(11(12,13)14)3-4-10(9)16/h1,3-4,6-7H,5H2
InChIKeyDFUOJFWKAZWHKD-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole (CID 134298689) is 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole is C#CCn1cnc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is DFUOJFWKAZWHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c1-2-5-16-7-15-9-6-8(11(12,13)14)3-4-10(9)16/h1,3-4,6-7H,5H2.
What are the key properties of 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole?
1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 224.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 134298689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).