6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one

C12H13FN2O2 — CID 110491161

IUPAC6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1CC1CCCO1
InChIInChI=1S/C12H13FN2O2/c13-8-3-4-11-10(6-8)14-12(16)15(11)7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,14,16)
InChIKeyNDSWEJGAJSUIQS-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.65
Rot. Bonds2

About 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one

6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 110491161) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
PubChem CID110491161
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1CC1CCCO1
InChIInChI=1S/C12H13FN2O2/c13-8-3-4-11-10(6-8)14-12(16)15(11)7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,14,16)
InChIKeyNDSWEJGAJSUIQS-UHFFFAOYSA-N
XLogP1.65
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(thiolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117207085
5-hydroxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117208085
3-(oxan-2-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783976
4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 172832405
5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117208086
6-bromo-3-(oxolan-2-ylmethyl)-1H-benzimidazole-2-thione
CID 43659817
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117207372
4-[(4-fluorophenyl)methylsulfanyl]-1-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroquinazolin-2-one
CID 41428553
6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one
CID 110491242
6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
CID 4298608
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
CID 113195404

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one (CID 110491161) is 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1CC1CCCO1.
What is the InChIKey of 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is NDSWEJGAJSUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-8-3-4-11-10(6-8)14-12(16)15(11)7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,14,16).
What are the key properties of 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one?
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110491161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).