2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole

C17H14ClFN2 — CID 63544847

IUPAC2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(-c3ccc4c(c3)CCC4)c2c1
InChIInChI=1S/C17H14ClFN2/c18-10-17-20-15-7-5-13(19)9-16(15)21(17)14-6-4-11-2-1-3-12(11)8-14/h4-9H,1-3,10H2
InChIKeyKPKTZPSIQRORLW-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.39
Rot. Bonds2

About 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole

2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole (PubChem CID 63544847) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole
PubChem CID63544847
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(-c3ccc4c(c3)CCC4)c2c1
InChIInChI=1S/C17H14ClFN2/c18-10-17-20-15-7-5-13(19)9-16(15)21(17)14-6-4-11-2-1-3-12(11)8-14/h4-9H,1-3,10H2
InChIKeyKPKTZPSIQRORLW-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.39
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-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole (CID 63544847) is 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole is Fc1ccc2nc(CCl)n(-c3ccc4c(c3)CCC4)c2c1.
What is the InChIKey of 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole?
The InChIKey is KPKTZPSIQRORLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c18-10-17-20-15-7-5-13(19)9-16(15)21(17)14-6-4-11-2-1-3-12(11)8-14/h4-9H,1-3,10H2.
What are the key properties of 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole?
2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole has a molecular weight of 300.76 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-yl)-6-fluorobenzimidazole is sourced from PubChem (CID 63544847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).