N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine

C16H20FN3O — CID 66360684

IUPACN-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H20FN3O/c1-11(2)19-9-16-18-5-6-20(16)10-14-8-12-7-13(17)3-4-15(12)21-14/h3-7,11,14,19H,8-10H2,1-2H3
InChIKeyJRHGVXCKLKDESP-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.52
Rot. Bonds5

About N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine

N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine (PubChem CID 66360684) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
PubChem CID66360684
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H20FN3O/c1-11(2)19-9-16-18-5-6-20(16)10-14-8-12-7-13(17)3-4-15(12)21-14/h3-7,11,14,19H,8-10H2,1-2H3
InChIKeyJRHGVXCKLKDESP-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine (CID 66360684) is N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nccn1CC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is JRHGVXCKLKDESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11(2)19-9-16-18-5-6-20(16)10-14-8-12-7-13(17)3-4-15(12)21-14/h3-7,11,14,19H,8-10H2,1-2H3.
What are the key properties of N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66360684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).