1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one

C27H32N4O3 — CID 155464434

IUPAC1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C3CCOCC3)cn2)CCN1CC(O)CNc1ccc2ccccc2c1
InChIInChI=1S/C27H32N4O3/c32-26(17-29-24-7-5-20-3-1-2-4-22(20)15-24)19-31-12-11-30(27(31)33)18-25-8-6-23(16-28-25)21-9-13-34-14-10-21/h1-8,15-16,21,26,29,32H,9-14,17-19H2
InChIKeyNIIROCAGMWEZSG-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.84
Rot. Bonds8

About 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one

1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 155464434) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
PubChem CID155464434
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C3CCOCC3)cn2)CCN1CC(O)CNc1ccc2ccccc2c1
InChIInChI=1S/C27H32N4O3/c32-26(17-29-24-7-5-20-3-1-2-4-22(20)15-24)19-31-12-11-30(27(31)33)18-25-8-6-23(16-28-25)21-9-13-34-14-10-21/h1-8,15-16,21,26,29,32H,9-14,17-19H2
InChIKeyNIIROCAGMWEZSG-UHFFFAOYSA-N
XLogP3.84
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one (CID 155464434) is 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one is O=C1N(Cc2ccc(C3CCOCC3)cn2)CCN1CC(O)CNc1ccc2ccccc2c1.
What is the InChIKey of 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is NIIROCAGMWEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c32-26(17-29-24-7-5-20-3-1-2-4-22(20)15-24)19-31-12-11-30(27(31)33)18-25-8-6-23(16-28-25)21-9-13-34-14-10-21/h1-8,15-16,21,26,29,32H,9-14,17-19H2.
What are the key properties of 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 460.58 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 155464434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).