(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine

C17H15F2N3O — CID 67121806

IUPAC(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2N
InChIInChI=1S/C17H15F2N3O/c1-2-14-21-12-7-6-10(18)15(19)16(12)22(14)13-5-3-4-9-11(20)8-23-17(9)13/h3-7,11H,2,8,20H2,1H3/t11-/m1/s1
InChIKeyXMRXJYFGFOQWRF-LLVKDONJSA-N
MW315.32 g/mol
LogP3.26
Rot. Bonds2

About (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine

(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 67121806) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID67121806
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2N
InChIInChI=1S/C17H15F2N3O/c1-2-14-21-12-7-6-10(18)15(19)16(12)22(14)13-5-3-4-9-11(20)8-23-17(9)13/h3-7,11H,2,8,20H2,1H3/t11-/m1/s1
InChIKeyXMRXJYFGFOQWRF-LLVKDONJSA-N
XLogP3.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine (CID 67121806) is (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine is CCc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2N.
What is the InChIKey of (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is XMRXJYFGFOQWRF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-14-21-12-7-6-10(18)15(19)16(12)22(14)13-5-3-4-9-11(20)8-23-17(9)13/h3-7,11H,2,8,20H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
(3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 315.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-(2-ethyl-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 67121806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).