2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole

C14H17ClF2N2O — CID 104763416

IUPAC2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCC(C)OCCn1c(CCCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H17ClF2N2O/c1-9(2)20-8-7-19-12(5-6-15)18-11-4-3-10(16)13(17)14(11)19/h3-4,9H,5-8H2,1-2H3
InChIKeyXRGFJVYMQNJLEF-UHFFFAOYSA-N
MW302.75 g/mol
LogP3.52
Rot. Bonds6

About 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole

2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole (PubChem CID 104763416) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
PubChem CID104763416
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC Name2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCC(C)OCCn1c(CCCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H17ClF2N2O/c1-9(2)20-8-7-19-12(5-6-15)18-11-4-3-10(16)13(17)14(11)19/h3-4,9H,5-8H2,1-2H3
InChIKeyXRGFJVYMQNJLEF-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole (CID 104763416) is 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole is CC(C)OCCn1c(CCCl)nc2ccc(F)c(F)c21.
What is the InChIKey of 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole?
The InChIKey is XRGFJVYMQNJLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c1-9(2)20-8-7-19-12(5-6-15)18-11-4-3-10(16)13(17)14(11)19/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole?
2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole has a molecular weight of 302.75 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 104763416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).