5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole

C14H16Cl2N2 — CID 113479127

IUPAC5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
SMILESClCc1nc2cc(Cl)ccc2n1CCC1CCC1
InChIInChI=1S/C14H16Cl2N2/c15-9-14-17-12-8-11(16)4-5-13(12)18(14)7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2
InChIKeyJIWGIIQCRKQUQI-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.62
Rot. Bonds4

About 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole

5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole (PubChem CID 113479127) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
PubChem CID113479127
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
SMILESClCc1nc2cc(Cl)ccc2n1CCC1CCC1
InChIInChI=1S/C14H16Cl2N2/c15-9-14-17-12-8-11(16)4-5-13(12)18(14)7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2
InChIKeyJIWGIIQCRKQUQI-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.62
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-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
5,6-dichloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479149
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
CID 116738831
5-chloro-2-(chloromethyl)-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585864
5-chloro-2-(chloromethyl)-1-(4-fluorobutyl)benzimidazole
CID 67992653
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
2-(2-chloroethyl)-1-(2-cyclohexylethyl)-5-iodobenzimidazole
CID 66080253
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
5-chloro-2-(chloromethyl)-1-(2-methylsulfonylethyl)benzimidazole
CID 54935133
5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
CID 55172239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole (CID 113479127) is 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole is ClCc1nc2cc(Cl)ccc2n1CCC1CCC1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole?
The InChIKey is JIWGIIQCRKQUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-9-14-17-12-8-11(16)4-5-13(12)18(14)7-6-10-2-1-3-10/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole?
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole has a molecular weight of 283.20 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole is sourced from PubChem (CID 113479127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).