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

C19H23N3O2 — CID 95724594

IUPAC(3S)-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-/m0/s1
InChIKeyJVHHKNURLDJCJS-INIZCTEOSA-N
MW325.41 g/mol
LogP3.14
Rot. Bonds5

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

(3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 95724594) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol
PubChem CID95724594
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S)-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-/m0/s1
InChIKeyJVHHKNURLDJCJS-INIZCTEOSA-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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Related Compounds

(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol
CID 95724595
(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol
CID 95144428
1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 150504455
1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidin-3-ol
CID 165121371
7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 155505782
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
1-(3-morpholin-4-ylpropyl)piperidin-3-ol
CID 111461736
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol
CID 23107075
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
2-[3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119064478

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol (CID 95724594) is (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (3S)-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 (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is JVHHKNURLDJCJS-INIZCTEOSA-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-/m0/s1.
What are the key properties of (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol?
(3S)-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 (3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 95724594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).