2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C14H13ClFN3O — CID 106375964

IUPAC2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(CCl)nc3ccc(F)cc32)oc1C
InChIInChI=1S/C14H13ClFN3O/c1-8-9(2)20-14(17-8)7-19-12-5-10(16)3-4-11(12)18-13(19)6-15/h3-5H,6-7H2,1-2H3
InChIKeyOARCXUBKCKUPOZ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.57
Rot. Bonds3

About 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106375964) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106375964
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(CCl)nc3ccc(F)cc32)oc1C
InChIInChI=1S/C14H13ClFN3O/c1-8-9(2)20-14(17-8)7-19-12-5-10(16)3-4-11(12)18-13(19)6-15/h3-5H,6-7H2,1-2H3
InChIKeyOARCXUBKCKUPOZ-UHFFFAOYSA-N
XLogP3.57
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 106375964) is 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Cn2c(CCl)nc3ccc(F)cc32)oc1C.
What is the InChIKey of 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is OARCXUBKCKUPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-8-9(2)20-14(17-8)7-19-12-5-10(16)3-4-11(12)18-13(19)6-15/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 293.73 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106375964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).