6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole

C13H14Cl2N2 — CID 115471442

IUPAC6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C1CCC1
InChIInChI=1S/C13H14Cl2N2/c1-8(14)13-16-11-6-5-9(15)7-12(11)17(13)10-3-2-4-10/h5-8,10H,2-4H2,1H3
InChIKeyAEFRKWSJHWOWPG-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.71
Rot. Bonds2

About 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole

6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole (PubChem CID 115471442) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
PubChem CID115471442
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C1CCC1
InChIInChI=1S/C13H14Cl2N2/c1-8(14)13-16-11-6-5-9(15)7-12(11)17(13)10-3-2-4-10/h5-8,10H,2-4H2,1H3
InChIKeyAEFRKWSJHWOWPG-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.71
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

6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
2-(1-chloroethyl)-1-cycloheptyl-6-fluorobenzimidazole
CID 63545031
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
CID 113316669
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 115473211
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
5-chloro-2-(1-chloroethyl)-1-(oxan-3-yl)benzimidazole
CID 63361573
6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 115471255
2-(1-chloroethyl)-6-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 62377544
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 113316662
2-(1-chloroethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377905
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole (CID 115471442) is 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1C1CCC1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole?
The InChIKey is AEFRKWSJHWOWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-8(14)13-16-11-6-5-9(15)7-12(11)17(13)10-3-2-4-10/h5-8,10H,2-4H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole?
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole has a molecular weight of 269.18 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole is sourced from PubChem (CID 115471442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).