6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole

C11H8ClF3N2 — CID 22342371

IUPAC6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole
SMILESC=CCn1cnc2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C11H8ClF3N2/c1-2-3-17-6-16-9-4-7(11(13,14)15)8(12)5-10(9)17/h2,4-6H,1,3H2
InChIKeyDQPNLIJQUUOEBX-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.89
Rot. Bonds2

About 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole

6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole (PubChem CID 22342371) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole
PubChem CID22342371
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole
SMILESC=CCn1cnc2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C11H8ClF3N2/c1-2-3-17-6-16-9-4-7(11(13,14)15)8(12)5-10(9)17/h2,4-6H,1,3H2
InChIKeyDQPNLIJQUUOEBX-UHFFFAOYSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole (CID 22342371) is 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole is C=CCn1cnc2cc(C(F)(F)F)c(Cl)cc21.
What is the InChIKey of 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is DQPNLIJQUUOEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c1-2-3-17-6-16-9-4-7(11(13,14)15)8(12)5-10(9)17/h2,4-6H,1,3H2.
What are the key properties of 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole?
6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 260.65 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-prop-2-enyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 22342371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).