2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol

C13H15N3O2 — CID 116881709

IUPAC2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
SMILESNCC(O)c1ncc(-c2ccc3c(c2)CCO3)[nH]1
InChIInChI=1S/C13H15N3O2/c14-6-11(17)13-15-7-10(16-13)8-1-2-12-9(5-8)3-4-18-12/h1-2,5,7,11,17H,3-4,6,14H2,(H,15,16)
InChIKeyNPOFUHBNYPFBOJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.00
Rot. Bonds3

About 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol

2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol (PubChem CID 116881709) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
PubChem CID116881709
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
SMILESNCC(O)c1ncc(-c2ccc3c(c2)CCO3)[nH]1
InChIInChI=1S/C13H15N3O2/c14-6-11(17)13-15-7-10(16-13)8-1-2-12-9(5-8)3-4-18-12/h1-2,5,7,11,17H,3-4,6,14H2,(H,15,16)
InChIKeyNPOFUHBNYPFBOJ-UHFFFAOYSA-N
XLogP1.00
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881641
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881716
5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116881708
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881704
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol (CID 116881709) is 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol is NCC(O)c1ncc(-c2ccc3c(c2)CCO3)[nH]1.
What is the InChIKey of 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol?
The InChIKey is NPOFUHBNYPFBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-6-11(17)13-15-7-10(16-13)8-1-2-12-9(5-8)3-4-18-12/h1-2,5,7,11,17H,3-4,6,14H2,(H,15,16).
What are the key properties of 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol?
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol has a molecular weight of 245.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 116881709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).