5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole

C15H17Cl2FN2O — CID 66112392

IUPAC5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole
SMILESCOC1CCCC1n1c(C(C)Cl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H17Cl2FN2O/c1-8(16)15-19-11-6-9(17)10(18)7-13(11)20(15)12-4-3-5-14(12)21-2/h6-8,12,14H,3-5H2,1-2H3
InChIKeySHLODXGPUMXARI-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.87
Rot. Bonds3

About 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole

5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole (PubChem CID 66112392) has the molecular formula C15H17Cl2FN2O and a molecular weight of 331.22 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole
PubChem CID66112392
Molecular FormulaC15H17Cl2FN2O
Molecular Weight331.22 g/mol
Exact Mass330.07
IUPAC Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole
SMILESCOC1CCCC1n1c(C(C)Cl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H17Cl2FN2O/c1-8(16)15-19-11-6-9(17)10(18)7-13(11)20(15)12-4-3-5-14(12)21-2/h6-8,12,14H,3-5H2,1-2H3
InChIKeySHLODXGPUMXARI-UHFFFAOYSA-N
XLogP4.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole (CID 66112392) is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole is COC1CCCC1n1c(C(C)Cl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole?
The InChIKey is SHLODXGPUMXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2FN2O/c1-8(16)15-19-11-6-9(17)10(18)7-13(11)20(15)12-4-3-5-14(12)21-2/h6-8,12,14H,3-5H2,1-2H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole?
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole has a molecular weight of 331.22 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole is sourced from PubChem (CID 66112392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).