1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol

C26H30ClN5O2 — CID 167218662

IUPAC1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol
SMILESCN1CCN(c2ccc(-c3cccc(-c4cncc(N5CCC(N)CC5)c4)c3O)cc2Cl)C1O
InChIInChI=1S/C26H30ClN5O2/c1-30-11-12-32(26(30)34)24-6-5-17(14-23(24)27)21-3-2-4-22(25(21)33)18-13-20(16-29-15-18)31-9-7-19(28)8-10-31/h2-6,13-16,19,26,33-34H,7-12,28H2,1H3
InChIKeyXTDVSVCPQZEGTE-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol

1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol (PubChem CID 167218662) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol.

Molecular Properties

Compound Name1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol
PubChem CID167218662
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol
SMILESCN1CCN(c2ccc(-c3cccc(-c4cncc(N5CCC(N)CC5)c4)c3O)cc2Cl)C1O
InChIInChI=1S/C26H30ClN5O2/c1-30-11-12-32(26(30)34)24-6-5-17(14-23(24)27)21-3-2-4-22(25(21)33)18-13-20(16-29-15-18)31-9-7-19(28)8-10-31/h2-6,13-16,19,26,33-34H,7-12,28H2,1H3
InChIKeyXTDVSVCPQZEGTE-UHFFFAOYSA-N
XLogP3.73
TPSA89.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol?
The IUPAC name of 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol (CID 167218662) is 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol.
What is the SMILES notation for 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol?
The canonical SMILES for 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol is CN1CCN(c2ccc(-c3cccc(-c4cncc(N5CCC(N)CC5)c4)c3O)cc2Cl)C1O.
What is the InChIKey of 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol?
The InChIKey is XTDVSVCPQZEGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-30-11-12-32(26(30)34)24-6-5-17(14-23(24)27)21-3-2-4-22(25(21)33)18-13-20(16-29-15-18)31-9-7-19(28)8-10-31/h2-6,13-16,19,26,33-34H,7-12,28H2,1H3.
What are the key properties of 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol?
1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol has a molecular weight of 480.01 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[5-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-ol is sourced from PubChem (CID 167218662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).