5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one

C14H11FN2O2 — CID 122656462

IUPAC5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(F)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11FN2O2/c1-19-12-4-2-3-9(15)13(12)8-5-6-10-11(7-8)17-14(18)16-10/h2-7H,1H3,(H2,16,17,18)
InChIKeyJRCCVLNOYZDPLS-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.67
Rot. Bonds2

About 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one

5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656462) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID122656462
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(F)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11FN2O2/c1-19-12-4-2-3-9(15)13(12)8-5-6-10-11(7-8)17-14(18)16-10/h2-7H,1H3,(H2,16,17,18)
InChIKeyJRCCVLNOYZDPLS-UHFFFAOYSA-N
XLogP2.67
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 122656423
CID 122656423
CID 10428464
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CID 56835091
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CID 122656605
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CID 10546806
CID 10546806
CID 10809482
CID 10809482
CID 44272644
CID 44272644
CID 6471369
CID 6471369
CID 2209390
CID 2209390
CID 6471278
CID 6471278
CID 53533494
CID 53533494
CID 71942715
CID 71942715

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one (CID 122656462) is 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one is COc1cccc(F)c1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JRCCVLNOYZDPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-19-12-4-2-3-9(15)13(12)8-5-6-10-11(7-8)17-14(18)16-10/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).