5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole

C16H20Cl2N2O — CID 63827040

IUPAC5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCOC1CCCC1
InChIInChI=1S/C16H20Cl2N2O/c1-11(17)16-19-14-10-12(18)6-7-15(14)20(16)8-9-21-13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyGUJCLXYTIJJCLW-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.95
Rot. Bonds5

About 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole

5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole (PubChem CID 63827040) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
PubChem CID63827040
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCOC1CCCC1
InChIInChI=1S/C16H20Cl2N2O/c1-11(17)16-19-14-10-12(18)6-7-15(14)20(16)8-9-21-13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyGUJCLXYTIJJCLW-UHFFFAOYSA-N
XLogP4.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
5-chloro-2-(1-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414365
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297
2-(1-chloroethyl)-1-(2-cyclohexylethyl)-5-methylbenzimidazole
CID 63545213
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole (CID 63827040) is 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole is CC(Cl)c1nc2cc(Cl)ccc2n1CCOC1CCCC1.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
The InChIKey is GUJCLXYTIJJCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-11(17)16-19-14-10-12(18)6-7-15(14)20(16)8-9-21-13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole?
5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole has a molecular weight of 327.25 g/mol, XLogP of 4.95, 5 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)-1-(2-cyclopentyloxyethyl)benzimidazole is sourced from PubChem (CID 63827040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).