6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine

C17H15IN2O — CID 138683170

IUPAC6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(I)cn2c1C1O[C@H](C)c2ccccc21
InChIInChI=1S/C17H15IN2O/c1-10-16(20-9-12(18)7-8-15(20)19-10)17-14-6-4-3-5-13(14)11(2)21-17/h3-9,11,17H,1-2H3/t11-,17?/m1/s1
InChIKeyQTJHATPYAPIXSU-VCQTYVLVSA-N
MW390.22 g/mol
LogP4.43
Rot. Bonds1

About 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine

6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine (PubChem CID 138683170) has the molecular formula C17H15IN2O and a molecular weight of 390.22 g/mol. Its IUPAC name is 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine
PubChem CID138683170
Molecular FormulaC17H15IN2O
Molecular Weight390.22 g/mol
Exact Mass390.02
IUPAC Name6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(I)cn2c1C1O[C@H](C)c2ccccc21
InChIInChI=1S/C17H15IN2O/c1-10-16(20-9-12(18)7-8-15(20)19-10)17-14-6-4-3-5-13(14)11(2)21-17/h3-9,11,17H,1-2H3/t11-,17?/m1/s1
InChIKeyQTJHATPYAPIXSU-VCQTYVLVSA-N
XLogP4.43
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine (CID 138683170) is 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine is Cc1nc2ccc(I)cn2c1C1O[C@H](C)c2ccccc21.
What is the InChIKey of 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is QTJHATPYAPIXSU-VCQTYVLVSA-N. The full InChI is InChI=1S/C17H15IN2O/c1-10-16(20-9-12(18)7-8-15(20)19-10)17-14-6-4-3-5-13(14)11(2)21-17/h3-9,11,17H,1-2H3/t11-,17?/m1/s1.
What are the key properties of 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine?
6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 390.22 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-3-[(3R)-3-methyl-1,3-dihydro-2-benzofuran-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 138683170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).