2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole

C15H10F2N2O — CID 63743685

IUPAC2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc4c(c3)COC4)[nH]c2cc1F
InChIInChI=1S/C15H10F2N2O/c16-11-4-13-14(5-12(11)17)19-15(18-13)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2,(H,18,19)
InChIKeyUMIKIBZZPOAOPZ-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.54
Rot. Bonds1

About 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole

2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole (PubChem CID 63743685) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole
PubChem CID63743685
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc4c(c3)COC4)[nH]c2cc1F
InChIInChI=1S/C15H10F2N2O/c16-11-4-13-14(5-12(11)17)19-15(18-13)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2,(H,18,19)
InChIKeyUMIKIBZZPOAOPZ-UHFFFAOYSA-N
XLogP3.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 10837761
2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
CID 71656319
(2S)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine
CID 71656321
(2S)-2-[4-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]morpholine
CID 71656420
(2R)-2-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]morpholine
CID 71656421
(2S)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]morpholine
CID 71656422
6-fluoro-N-[(3S,4S)-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 72947375
2-[(S)-methoxy-(4-methylphenyl)methyl]-1H-benzimidazole
CID 166630673
2-[ethoxy(phenyl)methyl]-1H-benzimidazole
CID 3009961
1H-Purine, 6-(1,3-dihydro-5-isobenzofuranyl)-
CID 11470431
(2-(1H-Benzo[d]imidazol-2-yl)phenyl)methanol
CID 21819285
1H-Benzimidazole, 2-(methoxyphenylmethyl)-
CID 3009960

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole (CID 63743685) is 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(-c3ccc4c(c3)COC4)[nH]c2cc1F.
What is the InChIKey of 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is UMIKIBZZPOAOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-11-4-13-14(5-12(11)17)19-15(18-13)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2,(H,18,19).
What are the key properties of 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole?
2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 272.25 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydro-2-benzofuran-5-yl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 63743685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).