4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one

C9H9FN2O2 — CID 66749375

IUPAC4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCOCc1ccc2[nH]c(=O)[nH]c2c1F
InChIInChI=1S/C9H9FN2O2/c1-14-4-5-2-3-6-8(7(5)10)12-9(13)11-6/h2-3H,4H2,1H3,(H2,11,12,13)
InChIKeyDZWNBNVGJZVLBS-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.14
Rot. Bonds2

About 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one

4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 66749375) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID66749375
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one
SMILESCOCc1ccc2[nH]c(=O)[nH]c2c1F
InChIInChI=1S/C9H9FN2O2/c1-14-4-5-2-3-6-8(7(5)10)12-9(13)11-6/h2-3H,4H2,1H3,(H2,11,12,13)
InChIKeyDZWNBNVGJZVLBS-UHFFFAOYSA-N
XLogP1.14
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-methyl-1,3-dihydrobenzimidazol-2-one
CID 45078283
2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid
CID 117305010
2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306249
5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350141
CID 88945254
CID 88945254
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
CID 175928743
2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile
CID 117286623
2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol
CID 117330299
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
3-(methoxymethyl)-1H-pyrrole-2-carboxylic acid
CID 131291188
1-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305499

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one (CID 66749375) is 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one is COCc1ccc2[nH]c(=O)[nH]c2c1F.
What is the InChIKey of 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DZWNBNVGJZVLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-14-4-5-2-3-6-8(7(5)10)12-9(13)11-6/h2-3H,4H2,1H3,(H2,11,12,13).
What are the key properties of 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one?
4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 196.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 66749375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).