1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole

C13H14Cl2N2 — CID 2936350

IUPAC1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CC1CC1(Cl)Cl
InChIInChI=1S/C13H14Cl2N2/c1-2-12-16-10-5-3-4-6-11(10)17(12)8-9-7-13(9,14)15/h3-6,9H,2,7-8H2,1H3
InChIKeyUJZAGOWJNGCRRQ-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.79
Rot. Bonds3

About 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole

1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole (PubChem CID 2936350) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole
PubChem CID2936350
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CC1CC1(Cl)Cl
InChIInChI=1S/C13H14Cl2N2/c1-2-12-16-10-5-3-4-6-11(10)17(12)8-9-7-13(9,14)15/h3-6,9H,2,7-8H2,1H3
InChIKeyUJZAGOWJNGCRRQ-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.79
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 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole (CID 2936350) is 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1CC1CC1(Cl)Cl.
What is the InChIKey of 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole?
The InChIKey is UJZAGOWJNGCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-2-12-16-10-5-3-4-6-11(10)17(12)8-9-7-13(9,14)15/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole?
1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole has a molecular weight of 269.17 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dichlorocyclopropyl)methyl]-2-ethylbenzimidazole is sourced from PubChem (CID 2936350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).