1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol

C21H19ClN4O4S — CID 122594613

IUPAC1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(-c2ncc(-c3ccc4ocnc4c3)[nH]2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C21H19ClN4O4S/c22-16-3-1-14(10-20(16)31(28,29)26-7-5-15(27)6-8-26)21-23-11-18(25-21)13-2-4-19-17(9-13)24-12-30-19/h1-4,9-12,15,27H,5-8H2,(H,23,25)
InChIKeyRRYBOQMAFNLDHP-UHFFFAOYSA-N
MW458.93 g/mol
LogP3.68
Rot. Bonds4

About 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol

1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol (PubChem CID 122594613) has the molecular formula C21H19ClN4O4S and a molecular weight of 458.93 g/mol. Its IUPAC name is 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol
PubChem CID122594613
Molecular FormulaC21H19ClN4O4S
Molecular Weight458.93 g/mol
Exact Mass458.08
IUPAC Name1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(-c2ncc(-c3ccc4ocnc4c3)[nH]2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C21H19ClN4O4S/c22-16-3-1-14(10-20(16)31(28,29)26-7-5-15(27)6-8-26)21-23-11-18(25-21)13-2-4-19-17(9-13)24-12-30-19/h1-4,9-12,15,27H,5-8H2,(H,23,25)
InChIKeyRRYBOQMAFNLDHP-UHFFFAOYSA-N
XLogP3.68
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.93
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594630
(4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-4-ol
CID 122594731
4-[2-[4-chloro-3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-1H-imidazol-5-yl]-2-fluorobenzonitrile
CID 122595847
1-[2-chloro-5-[5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122595824
1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol
CID 122594560
1-[2-chloro-5-[5-[2-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
CID 122594627
(5R)-8-[2-chloro-5-[5-(3-chloro-4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130287321
1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-3-ol
CID 122594660
(3R,6S)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepane-3,6-diol
CID 122594773
(3R,4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpyrrolidine-3,4-diol
CID 122594725
(1R,5S,7R)-3-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonyl-3-azabicyclo[5.1.0]octan-5-ol
CID 122594575
(2R)-1-[2-chloro-5-[5-(3-chloro-4-cyclopropylphenyl)-1H-imidazol-2-yl]phenyl]sulfonyl-2,6-dimethylpiperidin-4-ol
CID 130291372

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol (CID 122594613) is 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1cc(-c2ncc(-c3ccc4ocnc4c3)[nH]2)ccc1Cl)N1CCC(O)CC1.
What is the InChIKey of 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol?
The InChIKey is RRYBOQMAFNLDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4S/c22-16-3-1-14(10-20(16)31(28,29)26-7-5-15(27)6-8-26)21-23-11-18(25-21)13-2-4-19-17(9-13)24-12-30-19/h1-4,9-12,15,27H,5-8H2,(H,23,25).
What are the key properties of 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol?
1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol has a molecular weight of 458.93 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 122594613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).