2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole

C18H20N2O3 — CID 155495850

IUPAC2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
SMILESCO[C@H]1COC[C@H]1n1ccnc1-c1oc2ccc(C)cc2c1C
InChIInChI=1S/C18H20N2O3/c1-11-4-5-15-13(8-11)12(2)17(23-15)18-19-6-7-20(18)14-9-22-10-16(14)21-3/h4-8,14,16H,9-10H2,1-3H3/t14-,16+/m1/s1
InChIKeyAVBLUHRENMPDTA-ZBFHGGJFSA-N
MW312.37 g/mol
LogP3.50
Rot. Bonds3

About 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole

2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole (PubChem CID 155495850) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
PubChem CID155495850
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
SMILESCO[C@H]1COC[C@H]1n1ccnc1-c1oc2ccc(C)cc2c1C
InChIInChI=1S/C18H20N2O3/c1-11-4-5-15-13(8-11)12(2)17(23-15)18-19-6-7-20(18)14-9-22-10-16(14)21-3/h4-8,14,16H,9-10H2,1-3H3/t14-,16+/m1/s1
InChIKeyAVBLUHRENMPDTA-ZBFHGGJFSA-N
XLogP3.50
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole with MolForge

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

Launch Full Analysis

Related Compounds

(3S,3aR,6R,6aR)-3-[2-(3,5-dimethyl-1-benzofuran-2-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165417763
2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 154823286
1-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
CID 154820229
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
CID 146042201
N,N-dimethyl-1-[(3S,4S)-4-[2-(3-methyl-1-benzofuran-2-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
CID 166623939
formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 155939260
4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
CID 154823831
4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole
CID 154567758
formic acid;4-[[(3S,4S)-4-[2-(4-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 171708775
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437360
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
2,6-dimethoxy-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166612194

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
The IUPAC name of 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole (CID 155495850) is 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole.
What is the SMILES notation for 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
The canonical SMILES for 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole is CO[C@H]1COC[C@H]1n1ccnc1-c1oc2ccc(C)cc2c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
The InChIKey is AVBLUHRENMPDTA-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-4-5-15-13(8-11)12(2)17(23-15)18-19-6-7-20(18)14-9-22-10-16(14)21-3/h4-8,14,16H,9-10H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole has a molecular weight of 312.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole is sourced from PubChem (CID 155495850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).