4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole

C16H20Cl2N2 — CID 104838303

IUPAC4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
SMILESCCC1CCC(n2c(CCl)nc3c(Cl)cccc32)C1C
InChIInChI=1S/C16H20Cl2N2/c1-3-11-7-8-13(10(11)2)20-14-6-4-5-12(18)16(14)19-15(20)9-17/h4-6,10-11,13H,3,7-9H2,1-2H3
InChIKeyZPTSIRVCMINNAP-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.43
Rot. Bonds3

About 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole

4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole (PubChem CID 104838303) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
PubChem CID104838303
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole
SMILESCCC1CCC(n2c(CCl)nc3c(Cl)cccc32)C1C
InChIInChI=1S/C16H20Cl2N2/c1-3-11-7-8-13(10(11)2)20-14-6-4-5-12(18)16(14)19-15(20)9-17/h4-6,10-11,13H,3,7-9H2,1-2H3
InChIKeyZPTSIRVCMINNAP-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.43
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-(3-ethyl-2-methylcyclopentyl)benzimidazole
CID 64914844
4-chloro-2-(chloromethyl)-1-(1,3-dimethylpiperidin-4-yl)benzimidazole
CID 114505094
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
CID 64921459
4-chloro-2-(chloromethyl)-1-(oxan-4-yl)benzimidazole
CID 104837704
4-chloro-2-(chloromethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837772
4-chloro-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)benzimidazole
CID 104837942
2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719031
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
4-chloro-2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole
CID 114106637
4-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]pyrrolidin-2-one
CID 106187717
4-chloro-2-(2-chloroethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837771
1-butan-2-yl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837361

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole (CID 104838303) is 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole is CCC1CCC(n2c(CCl)nc3c(Cl)cccc32)C1C.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
The InChIKey is ZPTSIRVCMINNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2/c1-3-11-7-8-13(10(11)2)20-14-6-4-5-12(18)16(14)19-15(20)9-17/h4-6,10-11,13H,3,7-9H2,1-2H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole?
4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole has a molecular weight of 311.26 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(3-ethyl-2-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 104838303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).