2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole

C16H18ClFN2 — CID 62376179

IUPAC2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(C(C3CC3)C3CC3)c2c1
InChIInChI=1S/C16H18ClFN2/c17-8-7-15-19-13-6-5-12(18)9-14(13)20(15)16(10-1-2-10)11-3-4-11/h5-6,9-11,16H,1-4,7-8H2
InChIKeyGOWLSMCHSOPHNW-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole

2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole (PubChem CID 62376179) has the molecular formula C16H18ClFN2 and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
PubChem CID62376179
Molecular FormulaC16H18ClFN2
Molecular Weight292.78 g/mol
Exact Mass292.11
IUPAC Name2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(C(C3CC3)C3CC3)c2c1
InChIInChI=1S/C16H18ClFN2/c17-8-7-15-19-13-6-5-12(18)9-14(13)20(15)16(10-1-2-10)11-3-4-11/h5-6,9-11,16H,1-4,7-8H2
InChIKeyGOWLSMCHSOPHNW-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.32
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 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole (CID 62376179) is 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole is Fc1ccc2nc(CCCl)n(C(C3CC3)C3CC3)c2c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole?
The InChIKey is GOWLSMCHSOPHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c17-8-7-15-19-13-6-5-12(18)9-14(13)20(15)16(10-1-2-10)11-3-4-11/h5-6,9-11,16H,1-4,7-8H2.
What are the key properties of 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole?
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole has a molecular weight of 292.78 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 62376179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).