N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C16H21N3O2 — CID 106574403

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC1COc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-11-8-19(12(2)9-20-3)16(17-11)18-14-10-21-15-7-5-4-6-13(14)15/h4-8,12,14H,9-10H2,1-3H3,(H,17,18)
InChIKeyPDPNBIRKJUDVLT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.94
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106574403) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106574403
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC1COc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-11-8-19(12(2)9-20-3)16(17-11)18-14-10-21-15-7-5-4-6-13(14)15/h4-8,12,14H,9-10H2,1-3H3,(H,17,18)
InChIKeyPDPNBIRKJUDVLT-UHFFFAOYSA-N
XLogP2.94
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106574403) is N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1NC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is PDPNBIRKJUDVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-8-19(12(2)9-20-3)16(17-11)18-14-10-21-15-7-5-4-6-13(14)15/h4-8,12,14H,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 287.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106574403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).