1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one

C23H28N4O2 — CID 11741247

IUPAC1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)C1=O
InChIInChI=1S/C23H28N4O2/c1-25-13-14-27(23(25)28)20-6-8-22(24-16-20)29-21-7-5-17-9-11-26(19-3-2-4-19)12-10-18(17)15-21/h5-8,15-16,19H,2-4,9-14H2,1H3
InChIKeyWKPUUXOBZGVMCK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.70
Rot. Bonds4

About 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one

1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one (PubChem CID 11741247) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one
PubChem CID11741247
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)C1=O
InChIInChI=1S/C23H28N4O2/c1-25-13-14-27(23(25)28)20-6-8-22(24-16-20)29-21-7-5-17-9-11-26(19-3-2-4-19)12-10-18(17)15-21/h5-8,15-16,19H,2-4,9-14H2,1H3
InChIKeyWKPUUXOBZGVMCK-UHFFFAOYSA-N
XLogP3.70
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one (CID 11741247) is 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)C1=O.
What is the InChIKey of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one?
The InChIKey is WKPUUXOBZGVMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-25-13-14-27(23(25)28)20-6-8-22(24-16-20)29-21-7-5-17-9-11-26(19-3-2-4-19)12-10-18(17)15-21/h5-8,15-16,19H,2-4,9-14H2,1H3.
What are the key properties of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one?
1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 11741247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).