2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol

C17H18N2O3 — CID 53306581

IUPAC2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
SMILESCn1cncc1-c1cc2cc3c(cc2o1)OC(C(C)(C)O)C3
InChIInChI=1S/C17H18N2O3/c1-17(2,20)16-6-11-4-10-5-15(12-8-18-9-19(12)3)21-13(10)7-14(11)22-16/h4-5,7-9,16,20H,6H2,1-3H3
InChIKeyKOYJTNWWQYXATJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.91
Rot. Bonds2

About 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol

2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol (PubChem CID 53306581) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
PubChem CID53306581
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
SMILESCn1cncc1-c1cc2cc3c(cc2o1)OC(C(C)(C)O)C3
InChIInChI=1S/C17H18N2O3/c1-17(2,20)16-6-11-4-10-5-15(12-8-18-9-19(12)3)21-13(10)7-14(11)22-16/h4-5,7-9,16,20H,6H2,1-3H3
InChIKeyKOYJTNWWQYXATJ-UHFFFAOYSA-N
XLogP2.91
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol (CID 53306581) is 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol is Cn1cncc1-c1cc2cc3c(cc2o1)OC(C(C)(C)O)C3.
What is the InChIKey of 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
The InChIKey is KOYJTNWWQYXATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2,20)16-6-11-4-10-5-15(12-8-18-9-19(12)3)21-13(10)7-14(11)22-16/h4-5,7-9,16,20H,6H2,1-3H3.
What are the key properties of 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol has a molecular weight of 298.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylimidazol-4-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol is sourced from PubChem (CID 53306581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).