1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine

C12H13N3O — CID 106569539

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
SMILESNc1nccn1CC1Cc2ccccc2O1
InChIInChI=1S/C12H13N3O/c13-12-14-5-6-15(12)8-10-7-9-3-1-2-4-11(9)16-10/h1-6,10H,7-8H2,(H2,13,14)
InChIKeyBFYOSVJKWPNSBC-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.47
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine (PubChem CID 106569539) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
PubChem CID106569539
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
SMILESNc1nccn1CC1Cc2ccccc2O1
InChIInChI=1S/C12H13N3O/c13-12-14-5-6-15(12)8-10-7-9-3-1-2-4-11(9)16-10/h1-6,10H,7-8H2,(H2,13,14)
InChIKeyBFYOSVJKWPNSBC-UHFFFAOYSA-N
XLogP1.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpyrrol-3-yl]methanamine
CID 114195982
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine
CID 65344912
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoroindole
CID 82782530
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359620
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140889
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylindole
CID 116623048
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 62233023
[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indol-4-yl]methanol
CID 66364392
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66399277

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine (CID 106569539) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine is Nc1nccn1CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine?
The InChIKey is BFYOSVJKWPNSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12-14-5-6-15(12)8-10-7-9-3-1-2-4-11(9)16-10/h1-6,10H,7-8H2,(H2,13,14).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine has a molecular weight of 215.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106569539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).