[5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol

C19H20N2O3 — CID 56869104

IUPAC[5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol
SMILESCC1(C)Cc2cc(Cn3ccnc3-c3ccc(CO)o3)ccc2O1
InChIInChI=1S/C19H20N2O3/c1-19(2)10-14-9-13(3-5-16(14)24-19)11-21-8-7-20-18(21)17-6-4-15(12-22)23-17/h3-9,22H,10-12H2,1-2H3
InChIKeyALVPAXLBGIQDCG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.40
Rot. Bonds4

About [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol

[5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol (PubChem CID 56869104) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol
PubChem CID56869104
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol
SMILESCC1(C)Cc2cc(Cn3ccnc3-c3ccc(CO)o3)ccc2O1
InChIInChI=1S/C19H20N2O3/c1-19(2)10-14-9-13(3-5-16(14)24-19)11-21-8-7-20-18(21)17-6-4-15(12-22)23-17/h3-9,22H,10-12H2,1-2H3
InChIKeyALVPAXLBGIQDCG-UHFFFAOYSA-N
XLogP3.40
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol?
The IUPAC name of [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol (CID 56869104) is [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol is CC1(C)Cc2cc(Cn3ccnc3-c3ccc(CO)o3)ccc2O1.
What is the InChIKey of [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol?
The InChIKey is ALVPAXLBGIQDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2)10-14-9-13(3-5-16(14)24-19)11-21-8-7-20-18(21)17-6-4-15(12-22)23-17/h3-9,22H,10-12H2,1-2H3.
What are the key properties of [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol?
[5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol has a molecular weight of 324.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]imidazol-2-yl]furan-2-yl]methanol is sourced from PubChem (CID 56869104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).