(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol

C19H23N3O2 — CID 95724595

IUPAC(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(CCCn2ccnc2-c2cc3ccccc3o2)C1
InChIInChI=1S/C19H23N3O2/c23-16-6-3-9-21(14-16)10-4-11-22-12-8-20-19(22)18-13-15-5-1-2-7-17(15)24-18/h1-2,5,7-8,12-13,16,23H,3-4,6,9-11,14H2/t16-/m1/s1
InChIKeyJVHHKNURLDJCJS-MRXNPFEDSA-N
MW325.41 g/mol
LogP3.14
Rot. Bonds5

About (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol

(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 95724595) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol
PubChem CID95724595
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(CCCn2ccnc2-c2cc3ccccc3o2)C1
InChIInChI=1S/C19H23N3O2/c23-16-6-3-9-21(14-16)10-4-11-22-12-8-20-19(22)18-13-15-5-1-2-7-17(15)24-18/h1-2,5,7-8,12-13,16,23H,3-4,6,9-11,14H2/t16-/m1/s1
InChIKeyJVHHKNURLDJCJS-MRXNPFEDSA-N
XLogP3.14
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol (CID 95724595) is (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol is O[C@@H]1CCCN(CCCn2ccnc2-c2cc3ccccc3o2)C1.
What is the InChIKey of (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is JVHHKNURLDJCJS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-16-6-3-9-21(14-16)10-4-11-22-12-8-20-19(22)18-13-15-5-1-2-7-17(15)24-18/h1-2,5,7-8,12-13,16,23H,3-4,6,9-11,14H2/t16-/m1/s1.
What are the key properties of (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 325.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 95724595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).