2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole

C11H10ClF3N2 — CID 63226848

IUPAC2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole
SMILESFC(F)(F)CCn1c(CCl)nc2ccccc21
InChIInChI=1S/C11H10ClF3N2/c12-7-10-16-8-3-1-2-4-9(8)17(10)6-5-11(13,14)15/h1-4H,5-7H2
InChIKeySFMHNLWAFJFKQE-UHFFFAOYSA-N
MW262.66 g/mol
LogP3.73
Rot. Bonds3

About 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole

2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole (PubChem CID 63226848) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole
PubChem CID63226848
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC Name2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole
SMILESFC(F)(F)CCn1c(CCl)nc2ccccc21
InChIInChI=1S/C11H10ClF3N2/c12-7-10-16-8-3-1-2-4-9(8)17(10)6-5-11(13,14)15/h1-4H,5-7H2
InChIKeySFMHNLWAFJFKQE-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
CID 141387694
2-(chloromethyl)-3-(4,4,4-trifluorobutyl)quinazolin-4-one
CID 115521867
2-[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]ethanethioamide
CID 115518301
2-(chloromethyl)-1-[2-(2,2-difluoroethoxy)ethyl]benzimidazole
CID 114128388
2-(chloromethyl)-6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazole
CID 66094885
N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 29075823
5,6-dichloro-2-(chloromethyl)-1-(4,4,4-trifluorobutyl)benzimidazole
CID 115521028
2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
CID 61477875
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
2-(chloromethyl)-1-(3-phenylbutyl)benzimidazole
CID 63547545
2-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63240109
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole (CID 63226848) is 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole is FC(F)(F)CCn1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole?
The InChIKey is SFMHNLWAFJFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c12-7-10-16-8-3-1-2-4-9(8)17(10)6-5-11(13,14)15/h1-4H,5-7H2.
What are the key properties of 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole?
2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole has a molecular weight of 262.66 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole is sourced from PubChem (CID 63226848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).