1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one

C26H28ClN5O2 — CID 166166803

IUPAC1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cccc(-c4ccnc(N5CCCC(N)C5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C26H28ClN5O2/c1-30-12-13-32(26(30)34)23-8-7-17(14-22(23)27)20-5-2-6-21(25(20)33)18-9-10-29-24(15-18)31-11-3-4-19(28)16-31/h2,5-10,14-15,19,33H,3-4,11-13,16,28H2,1H3
InChIKeyIUHAQWRPPOHMNB-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.57
Rot. Bonds4

About 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one

1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one (PubChem CID 166166803) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one
PubChem CID166166803
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cccc(-c4ccnc(N5CCCC(N)C5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C26H28ClN5O2/c1-30-12-13-32(26(30)34)23-8-7-17(14-22(23)27)20-5-2-6-21(25(20)33)18-9-10-29-24(15-18)31-11-3-4-19(28)16-31/h2,5-10,14-15,19,33H,3-4,11-13,16,28H2,1H3
InChIKeyIUHAQWRPPOHMNB-UHFFFAOYSA-N
XLogP4.57
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one (CID 166166803) is 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(-c3cccc(-c4ccnc(N5CCCC(N)C5)c4)c3O)cc2Cl)C1=O.
What is the InChIKey of 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one?
The InChIKey is IUHAQWRPPOHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-30-12-13-32(26(30)34)23-8-7-17(14-22(23)27)20-5-2-6-21(25(20)33)18-9-10-29-24(15-18)31-11-3-4-19(28)16-31/h2,5-10,14-15,19,33H,3-4,11-13,16,28H2,1H3.
What are the key properties of 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one?
1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one has a molecular weight of 478.00 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 166166803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).