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

C17H15F2N3O2 — CID 67121807

IUPAC(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2N
InChIInChI=1S/C17H15F2N3O2/c1-2-23-17-21-12-7-6-10(18)14(19)15(12)22(17)13-5-3-4-9-11(20)8-24-16(9)13/h3-7,11H,2,8,20H2,1H3/t11-/m1/s1
InChIKeyIGIJKHWJDOGSOW-LLVKDONJSA-N
MW331.32 g/mol
LogP3.09
Rot. Bonds3

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

(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 67121807) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID67121807
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2N
InChIInChI=1S/C17H15F2N3O2/c1-2-23-17-21-12-7-6-10(18)14(19)15(12)22(17)13-5-3-4-9-11(20)8-24-16(9)13/h3-7,11H,2,8,20H2,1H3/t11-/m1/s1
InChIKeyIGIJKHWJDOGSOW-LLVKDONJSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
CID 9840672
N-(4-methoxyphenyl)-N-({1-[2-(2-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amine
CID 7006385
2-(Trifluoromethyl)-8-(benzylaminomethyl)-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole
CID 9820313
N-(6-(2-(3-(2-(pyrrolidin-2-ylmethoxy)-5-(trifluoromethyl)phenyl)ureido)ethyl)-1H-benzo[d]imidazol-2-yl)acetamide
CID 11477628
N-(2-ethoxybenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 977700
1-Ethyl-2-o-tolyloxymethyl-1H-benzoimidazole
CID 756800
1-ethyl-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-benzimidazole
CID 16013595
2-Methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 748823
7-[(Dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine
CID 9948877
1-(2,5-Dimethoxy-phenyl)-5-trifluoromethyl-1H-benzoimidazol-2-ylamine
CID 9905818
4-(2-Ethoxyphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135512523
1-[2-(2-methylphenoxy)ethyl]-1H-benzimidazole
CID 749608

Frequently Asked Questions

What is the IUPAC name of (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine (CID 67121807) is (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine is CCOc1nc2ccc(F)c(F)c2n1-c1cccc2c1OC[C@H]2N.
What is the InChIKey of (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is IGIJKHWJDOGSOW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-2-23-17-21-12-7-6-10(18)14(19)15(12)22(17)13-5-3-4-9-11(20)8-24-16(9)13/h3-7,11H,2,8,20H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine?
(3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 331.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-(2-ethoxy-6,7-difluorobenzimidazol-1-yl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 67121807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).