4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole

C13H11Cl2F3N2 — CID 106216958

IUPAC4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
SMILESFC(F)(F)C1(n2c(CCCl)nc3c(Cl)cccc32)CC1
InChIInChI=1S/C13H11Cl2F3N2/c14-7-4-10-19-11-8(15)2-1-3-9(11)20(10)12(5-6-12)13(16,17)18/h1-3H,4-7H2
InChIKeyLCDNLMYBFRPRLA-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.52
Rot. Bonds3

About 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole

4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole (PubChem CID 106216958) has the molecular formula C13H11Cl2F3N2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
PubChem CID106216958
Molecular FormulaC13H11Cl2F3N2
Molecular Weight323.15 g/mol
Exact Mass322.03
IUPAC Name4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
SMILESFC(F)(F)C1(n2c(CCCl)nc3c(Cl)cccc32)CC1
InChIInChI=1S/C13H11Cl2F3N2/c14-7-4-10-19-11-8(15)2-1-3-9(11)20(10)12(5-6-12)13(16,17)18/h1-3H,4-7H2
InChIKeyLCDNLMYBFRPRLA-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.52
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-(2-chloroethyl)-5-iodo-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216879
4-chloro-2-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)benzimidazole
CID 104838552
4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
CID 104838360
4-chloro-2-(2-chloroethyl)-1-[(2,2-dimethylcyclopropyl)methyl]benzimidazole
CID 114109116
4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 104837381
5-(2-chloroethyl)-1,3-dimethyl-6-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-d]pyrazole
CID 106216949
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
4-chloro-2-(2-chloroethyl)-1-(2,4,4-trimethylpentan-2-yl)benzimidazole
CID 104837916
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
2-(2-chloroethyl)-5-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 106216975
4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
CID 104838457
4-chloro-2-(2-chloroethyl)-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole (CID 106216958) is 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole is FC(F)(F)C1(n2c(CCCl)nc3c(Cl)cccc32)CC1.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
The InChIKey is LCDNLMYBFRPRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N2/c14-7-4-10-19-11-8(15)2-1-3-9(11)20(10)12(5-6-12)13(16,17)18/h1-3H,4-7H2.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole?
4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole has a molecular weight of 323.15 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethyl)-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole is sourced from PubChem (CID 106216958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).