2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole

C15H14ClFN2O2 — CID 63599148

IUPAC2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole
SMILESCOc1cc2c(cc1F)nc(CCl)n2Cc1ccc(C)o1
InChIInChI=1S/C15H14ClFN2O2/c1-9-3-4-10(21-9)8-19-13-6-14(20-2)11(17)5-12(13)18-15(19)7-16/h3-6H,7-8H2,1-2H3
InChIKeyWCKBYQPAUQDASA-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.87
Rot. Bonds4

About 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole

2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole (PubChem CID 63599148) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole
PubChem CID63599148
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole
SMILESCOc1cc2c(cc1F)nc(CCl)n2Cc1ccc(C)o1
InChIInChI=1S/C15H14ClFN2O2/c1-9-3-4-10(21-9)8-19-13-6-14(20-2)11(17)5-12(13)18-15(19)7-16/h3-6H,7-8H2,1-2H3
InChIKeyWCKBYQPAUQDASA-UHFFFAOYSA-N
XLogP3.87
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.87
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-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole (CID 63599148) is 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole is COc1cc2c(cc1F)nc(CCl)n2Cc1ccc(C)o1.
What is the InChIKey of 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
The InChIKey is WCKBYQPAUQDASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-3-4-10(21-9)8-19-13-6-14(20-2)11(17)5-12(13)18-15(19)7-16/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole has a molecular weight of 308.74 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole is sourced from PubChem (CID 63599148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).