7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole

C14H15Cl2F3N2 — CID 115521089

IUPAC7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole
SMILESFC(F)(F)CCCCn1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C14H15Cl2F3N2/c15-8-6-12-20-11-5-3-4-10(16)13(11)21(12)9-2-1-7-14(17,18)19/h3-5H,1-2,6-9H2
InChIKeyDZOBLKWYSVBNGW-UHFFFAOYSA-N
MW339.19 g/mol
LogP5.20
Rot. Bonds6

About 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole (PubChem CID 115521089) has the molecular formula C14H15Cl2F3N2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole
PubChem CID115521089
Molecular FormulaC14H15Cl2F3N2
Molecular Weight339.19 g/mol
Exact Mass338.06
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole
SMILESFC(F)(F)CCCCn1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C14H15Cl2F3N2/c15-8-6-12-20-11-5-3-4-10(16)13(11)21(12)9-2-1-7-14(17,18)19/h3-5H,1-2,6-9H2
InChIKeyDZOBLKWYSVBNGW-UHFFFAOYSA-N
XLogP5.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.19
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)benzimidazole
CID 104838552
7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 61460982
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914985
1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
CID 63545046
3-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 115552736
2-(chloromethyl)-7-fluoro-1-(3,3,3-trifluoropropyl)benzimidazole
CID 141387694
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
2-(2-chloroethyl)-7-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521123
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole (CID 115521089) is 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole is FC(F)(F)CCCCn1c(CCCl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole?
The InChIKey is DZOBLKWYSVBNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3N2/c15-8-6-12-20-11-5-3-4-10(16)13(11)21(12)9-2-1-7-14(17,18)19/h3-5H,1-2,6-9H2.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole has a molecular weight of 339.19 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole is sourced from PubChem (CID 115521089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).