7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole

C15H16Cl2N2O — CID 80715804

IUPAC7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1C1CC2CCC1O2
InChIInChI=1S/C15H16Cl2N2O/c16-7-6-14-18-11-3-1-2-10(17)15(11)19(14)12-8-9-4-5-13(12)20-9/h1-3,9,12-13H,4-8H2
InChIKeyHWBRKABUYBBTOT-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.96
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole (PubChem CID 80715804) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
PubChem CID80715804
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1C1CC2CCC1O2
InChIInChI=1S/C15H16Cl2N2O/c16-7-6-14-18-11-3-1-2-10(17)15(11)19(14)12-8-9-4-5-13(12)20-9/h1-3,9,12-13H,4-8H2
InChIKeyHWBRKABUYBBTOT-UHFFFAOYSA-N
XLogP3.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole-4-carbonitrile
CID 104719849
7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667498
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553577
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
2-(2-chloroethyl)-7-methyl-1-(oxan-4-yl)benzimidazole
CID 113334033
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
5,6-dichloro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720938
6-bromo-2-(chloromethyl)-5-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
CID 116739246
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole (CID 80715804) is 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole is ClCCc1nc2cccc(Cl)c2n1C1CC2CCC1O2.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole?
The InChIKey is HWBRKABUYBBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-7-6-14-18-11-3-1-2-10(17)15(11)19(14)12-8-9-4-5-13(12)20-9/h1-3,9,12-13H,4-8H2.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole has a molecular weight of 311.21 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole is sourced from PubChem (CID 80715804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).