2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole

C18H16F2N2O3 — CID 67121818

IUPAC2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole
SMILESCCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2OC
InChIInChI=1S/C18H16F2N2O3/c1-3-24-18-21-12-8-7-11(19)15(20)16(12)22(18)13-6-4-5-10-14(23-2)9-25-17(10)13/h4-8,14H,3,9H2,1-2H3/t14-/m1/s1
InChIKeyCLJREIRGCBNCDB-CQSZACIVSA-N
MW346.33 g/mol
LogP3.78
Rot. Bonds4

About 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole

2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole (PubChem CID 67121818) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole.

Molecular Properties

Compound Name2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole
PubChem CID67121818
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole
SMILESCCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2OC
InChIInChI=1S/C18H16F2N2O3/c1-3-24-18-21-12-8-7-11(19)15(20)16(12)22(18)13-6-4-5-10-14(23-2)9-25-17(10)13/h4-8,14H,3,9H2,1-2H3/t14-/m1/s1
InChIKeyCLJREIRGCBNCDB-CQSZACIVSA-N
XLogP3.78
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?
The IUPAC name of 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole (CID 67121818) is 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole.
What is the SMILES notation for 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?
The canonical SMILES for 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole is CCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2OC.
What is the InChIKey of 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?
The InChIKey is CLJREIRGCBNCDB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-3-24-18-21-12-8-7-11(19)15(20)16(12)22(18)13-6-4-5-10-14(23-2)9-25-17(10)13/h4-8,14H,3,9H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole?
2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole has a molecular weight of 346.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6,7-difluoro-1-[(3S)-3-methoxy-2,3-dihydro-1-benzofuran-7-yl]benzimidazole is sourced from PubChem (CID 67121818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).