6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole

C14H16Cl2N2 — CID 114548595

IUPAC6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
SMILESCC1CCC(n2c(CCl)nc3ccc(Cl)cc32)C1
InChIInChI=1S/C14H16Cl2N2/c1-9-2-4-11(6-9)18-13-7-10(16)3-5-12(13)17-14(18)8-15/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyLYOVKHKZFGOCRP-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.79
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole

6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole (PubChem CID 114548595) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
PubChem CID114548595
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
SMILESCC1CCC(n2c(CCl)nc3ccc(Cl)cc32)C1
InChIInChI=1S/C14H16Cl2N2/c1-9-2-4-11(6-9)18-13-7-10(16)3-5-12(13)17-14(18)8-15/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyLYOVKHKZFGOCRP-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole (CID 114548595) is 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole is CC1CCC(n2c(CCl)nc3ccc(Cl)cc32)C1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole?
The InChIKey is LYOVKHKZFGOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-9-2-4-11(6-9)18-13-7-10(16)3-5-12(13)17-14(18)8-15/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(3-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 6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 114548595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).