1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol

C15H21N5O — CID 70417826

IUPAC1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol
SMILESCc1ccc(-c2ncc(C(O)CN3CCNCC3)[nH]2)nc1
InChIInChI=1S/C15H21N5O/c1-11-2-3-12(17-8-11)15-18-9-13(19-15)14(21)10-20-6-4-16-5-7-20/h2-3,8-9,14,16,21H,4-7,10H2,1H3,(H,18,19)
InChIKeyHBYXMOOKKJVYAA-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.72
Rot. Bonds4

About 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol

1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol (PubChem CID 70417826) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol
PubChem CID70417826
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol
SMILESCc1ccc(-c2ncc(C(O)CN3CCNCC3)[nH]2)nc1
InChIInChI=1S/C15H21N5O/c1-11-2-3-12(17-8-11)15-18-9-13(19-15)14(21)10-20-6-4-16-5-7-20/h2-3,8-9,14,16,21H,4-7,10H2,1H3,(H,18,19)
InChIKeyHBYXMOOKKJVYAA-UHFFFAOYSA-N
XLogP0.72
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol?
The IUPAC name of 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol (CID 70417826) is 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol?
The canonical SMILES for 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol is Cc1ccc(-c2ncc(C(O)CN3CCNCC3)[nH]2)nc1.
What is the InChIKey of 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol?
The InChIKey is HBYXMOOKKJVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-2-3-12(17-8-11)15-18-9-13(19-15)14(21)10-20-6-4-16-5-7-20/h2-3,8-9,14,16,21H,4-7,10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol?
1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol has a molecular weight of 287.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol is sourced from PubChem (CID 70417826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).