4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole

C16H20Cl2N2 — CID 104838457

IUPAC4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
SMILESCC1(C)CCCC1n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C16H20Cl2N2/c1-16(2)9-4-7-13(16)20-12-6-3-5-11(18)15(12)19-14(20)8-10-17/h3,5-6,13H,4,7-10H2,1-2H3
InChIKeyDHTMOLSOQDCZQY-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.22
Rot. Bonds3

About 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole

4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole (PubChem CID 104838457) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
PubChem CID104838457
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole
SMILESCC1(C)CCCC1n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C16H20Cl2N2/c1-16(2)9-4-7-13(16)20-12-6-3-5-11(18)15(12)19-14(20)8-10-17/h3,5-6,13H,4,7-10H2,1-2H3
InChIKeyDHTMOLSOQDCZQY-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
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-cyclobutylbenzimidazole
CID 104838040
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509629
2-(chloromethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719821
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-6-fluorobenzimidazole
CID 79870114
4-chloro-2-(2-chloroethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837771
4-chloro-2-(2-chloroethyl)-1-[(2,2-dimethylcyclopropyl)methyl]benzimidazole
CID 114109116
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
2-(2-chloroethyl)-1-(2,2-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79871479
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 116739217
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
5-(2-chloroethyl)-6-(2,2-dimethylcyclohexyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79871224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole (CID 104838457) is 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole is CC1(C)CCCC1n1c(CCCl)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole?
The InChIKey is DHTMOLSOQDCZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2/c1-16(2)9-4-7-13(16)20-12-6-3-5-11(18)15(12)19-14(20)8-10-17/h3,5-6,13H,4,7-10H2,1-2H3.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole?
4-chloro-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)benzimidazole has a molecular weight of 311.26 g/mol, XLogP of 5.22, 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-(2,2-dimethylcyclopentyl)benzimidazole is sourced from PubChem (CID 104838457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).