4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole

C13H14Cl2N2 — CID 104838040

IUPAC4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
SMILESClCCc1nc2c(Cl)cccc2n1C1CCC1
InChIInChI=1S/C13H14Cl2N2/c14-8-7-12-16-13-10(15)5-2-6-11(13)17(12)9-3-1-4-9/h2,5-6,9H,1,3-4,7-8H2
InChIKeyQCNQXLPHMUAMOE-UHFFFAOYSA-N
MW269.17 g/mol
LogP4.20
Rot. Bonds3

About 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole

4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole (PubChem CID 104838040) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
PubChem CID104838040
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
SMILESClCCc1nc2c(Cl)cccc2n1C1CCC1
InChIInChI=1S/C13H14Cl2N2/c14-8-7-12-16-13-10(15)5-2-6-11(13)17(12)9-3-1-4-9/h2,5-6,9H,1,3-4,7-8H2
InChIKeyQCNQXLPHMUAMOE-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 54.20
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

4-chloro-2-(2-chloroethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837771
2-(2-chloroethyl)-1-cyclobutylbenzimidazole-4-carbonitrile
CID 113445072
2,4-dichloro-1-cyclobutylbenzimidazole
CID 84800761
4-chloro-2-(chloromethyl)-1-(oxan-4-yl)benzimidazole
CID 104837704
4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
CID 104838457
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
2-bromo-4-chloro-1-cyclopentylbenzimidazole
CID 84816196
4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
CID 104838360
4-chloro-2-(chloromethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837772
4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole
CID 104837942
3-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]thiane 1,1-dioxide
CID 63924168
4-chloro-2-(2-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole (CID 104838040) is 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole is ClCCc1nc2c(Cl)cccc2n1C1CCC1.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole?
The InChIKey is QCNQXLPHMUAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c14-8-7-12-16-13-10(15)5-2-6-11(13)17(12)9-3-1-4-9/h2,5-6,9H,1,3-4,7-8H2.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole?
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole has a molecular weight of 269.17 g/mol, XLogP of 4.20, 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-cyclobutylbenzimidazole is sourced from PubChem (CID 104838040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).