[5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol

C18H18N2O3 — CID 56862238

IUPAC[5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CC2OCCc3ccccc32)o1
InChIInChI=1S/C18H18N2O3/c21-12-14-5-6-16(23-14)18-19-8-9-20(18)11-17-15-4-2-1-3-13(15)7-10-22-17/h1-6,8-9,17,21H,7,10-12H2
InChIKeyPZYXLYNNTMSYRG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.95
Rot. Bonds4

About [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol

[5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol (PubChem CID 56862238) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol
PubChem CID56862238
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2nccn2CC2OCCc3ccccc32)o1
InChIInChI=1S/C18H18N2O3/c21-12-14-5-6-16(23-14)18-19-8-9-20(18)11-17-15-4-2-1-3-13(15)7-10-22-17/h1-6,8-9,17,21H,7,10-12H2
InChIKeyPZYXLYNNTMSYRG-UHFFFAOYSA-N
XLogP2.95
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol (CID 56862238) is [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol is OCc1ccc(-c2nccn2CC2OCCc3ccccc32)o1.
What is the InChIKey of [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
The InChIKey is PZYXLYNNTMSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-12-14-5-6-16(23-14)18-19-8-9-20(18)11-17-15-4-2-1-3-13(15)7-10-22-17/h1-6,8-9,17,21H,7,10-12H2.
What are the key properties of [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol?
[5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol has a molecular weight of 310.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-2-yl]furan-2-yl]methanol is sourced from PubChem (CID 56862238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).