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

C14H16Cl2N2 — CID 55172239

IUPAC5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
SMILESCC1CCCC1n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H16Cl2N2/c1-9-3-2-4-12(9)18-13-6-5-10(16)7-11(13)17-14(18)8-15/h5-7,9,12H,2-4,8H2,1H3
InChIKeyMCQSYSFCTNUQSO-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.79
Rot. Bonds2

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

5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole (PubChem CID 55172239) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
PubChem CID55172239
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
SMILESCC1CCCC1n1c(CCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H16Cl2N2/c1-9-3-2-4-12(9)18-13-6-5-10(16)7-11(13)17-14(18)8-15/h5-7,9,12H,2-4,8H2,1H3
InChIKeyMCQSYSFCTNUQSO-UHFFFAOYSA-N
XLogP4.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.79
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

5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 66087515
2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole
CID 63281505
2-(chloromethyl)-5-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 81135553
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
CID 118114327
2-(chloromethyl)-1-(2,4-dimethylcyclohexyl)-5-fluorobenzimidazole
CID 63997551
5-chloro-2-(2-chloroethyl)-1-[(2-methylcyclopentyl)methyl]benzimidazole
CID 107419697
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-(chloromethyl)-1-(1,3-dimethylpiperidin-4-yl)-5-methylbenzimidazole
CID 114505105
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
2-(chloromethyl)-1-(1,3-dimethylpiperidin-4-yl)-5-iodobenzimidazole
CID 114505099
6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole
CID 83017525

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole (CID 55172239) is 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole is CC1CCCC1n1c(CCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole?
The InChIKey is MCQSYSFCTNUQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-9-3-2-4-12(9)18-13-6-5-10(16)7-11(13)17-14(18)8-15/h5-7,9,12H,2-4,8H2,1H3.
What are the key properties of 5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole?
5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole has a molecular weight of 283.20 g/mol, XLogP of 4.79, 2 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-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 55172239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).