2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole

C15H10F2N2O — CID 115911961

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(C3COc4ccccc43)nc2c1F
InChIInChI=1S/C15H10F2N2O/c16-10-5-6-11-14(13(10)17)19-15(18-11)9-7-20-12-4-2-1-3-8(9)12/h1-6,9H,7H2,(H,18,19)
InChIKeyIJSOMAUJDVOSRQ-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.37
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole

2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole (PubChem CID 115911961) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole
PubChem CID115911961
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(C3COc4ccccc43)nc2c1F
InChIInChI=1S/C15H10F2N2O/c16-10-5-6-11-14(13(10)17)19-15(18-11)9-7-20-12-4-2-1-3-8(9)12/h1-6,9H,7H2,(H,18,19)
InChIKeyIJSOMAUJDVOSRQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820809
2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941592
5-bromo-2-(2,3-dihydro-1-benzofuran-3-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480601
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-fluoro-1H-benzimidazole
CID 58164285
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
4-(2,3-dihydro-1-benzofuran-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084227
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 60978794
2-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine
CID 170958607
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 82822455
[2-(2,3-dihydro-1-benzofuran-3-yl)-5-methylpyrimidin-4-yl]methanol
CID 114245014

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole (CID 115911961) is 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole is Fc1ccc2[nH]c(C3COc4ccccc43)nc2c1F.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is IJSOMAUJDVOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-10-5-6-11-14(13(10)17)19-15(18-11)9-7-20-12-4-2-1-3-8(9)12/h1-6,9H,7H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole?
2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 272.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 115911961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).