[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C21H22N4O2 — CID 70771008

IUPAC[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-18-7-4-10-22-19(18)21(27)24-12-8-17(9-13-24)20-23-11-14-25(20)15-16-5-2-1-3-6-16/h1-7,10-11,14,17,26H,8-9,12-13,15H2
InChIKeyYIGKHZSRNITNCH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.05
Rot. Bonds4

About [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 70771008) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID70771008
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-18-7-4-10-22-19(18)21(27)24-12-8-17(9-13-24)20-23-11-14-25(20)15-16-5-2-1-3-6-16/h1-7,10-11,14,17,26H,8-9,12-13,15H2
InChIKeyYIGKHZSRNITNCH-UHFFFAOYSA-N
XLogP3.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 70771008) is [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ncccc1O)N1CCC(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is YIGKHZSRNITNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-18-7-4-10-22-19(18)21(27)24-12-8-17(9-13-24)20-23-11-14-25(20)15-16-5-2-1-3-6-16/h1-7,10-11,14,17,26H,8-9,12-13,15H2.
What are the key properties of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 70771008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).