4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole

C12H15FN2O — CID 112603045

IUPAC4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
SMILESCC(C)(C)OCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H15FN2O/c1-12(2,3)16-7-10-14-9-6-4-5-8(13)11(9)15-10/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyJFHHWWZGSAVUGO-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.02
Rot. Bonds2

About 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole

4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole (PubChem CID 112603045) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
PubChem CID112603045
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
SMILESCC(C)(C)OCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H15FN2O/c1-12(2,3)16-7-10-14-9-6-4-5-8(13)11(9)15-10/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyJFHHWWZGSAVUGO-UHFFFAOYSA-N
XLogP3.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole (CID 112603045) is 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole is CC(C)(C)OCc1nc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole?
The InChIKey is JFHHWWZGSAVUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-12(2,3)16-7-10-14-9-6-4-5-8(13)11(9)15-10/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole?
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole has a molecular weight of 222.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole is sourced from PubChem (CID 112603045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).