1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol

C21H22ClN3O3S — CID 122594630

IUPAC1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
SMILESCc1ccc(-c2cnc(-c3ccc(Cl)c(S(=O)(=O)N4CCC(O)CC4)c3)[nH]2)cc1
InChIInChI=1S/C21H22ClN3O3S/c1-14-2-4-15(5-3-14)19-13-23-21(24-19)16-6-7-18(22)20(12-16)29(27,28)25-10-8-17(26)9-11-25/h2-7,12-13,17,26H,8-11H2,1H3,(H,23,24)
InChIKeyGURITVBLIDRXIK-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.85
Rot. Bonds4

About 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol

1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol (PubChem CID 122594630) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
PubChem CID122594630
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol
SMILESCc1ccc(-c2cnc(-c3ccc(Cl)c(S(=O)(=O)N4CCC(O)CC4)c3)[nH]2)cc1
InChIInChI=1S/C21H22ClN3O3S/c1-14-2-4-15(5-3-14)19-13-23-21(24-19)16-6-7-18(22)20(12-16)29(27,28)25-10-8-17(26)9-11-25/h2-7,12-13,17,26H,8-11H2,1H3,(H,23,24)
InChIKeyGURITVBLIDRXIK-UHFFFAOYSA-N
XLogP3.85
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[5-[5-(1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpiperidin-4-ol
CID 122594613
4-[2-[4-chloro-3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-1H-imidazol-5-yl]-2-fluorobenzonitrile
CID 122595847
(4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-4-ol
CID 122594731
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
(3R,6S)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepane-3,6-diol
CID 122594773
(2R)-1-[2-chloro-5-[5-(3-chloro-4-cyclopropylphenyl)-1H-imidazol-2-yl]phenyl]sulfonyl-2,6-dimethylpiperidin-4-ol
CID 130291372
1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylazepan-3-ol
CID 122594660
(3R,4R)-1-[5-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]-2-chlorophenyl]sulfonylpyrrolidine-3,4-diol
CID 122594725
8-[2-chloro-5-[5-[3-cyclopropyl-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130291457

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol (CID 122594630) is 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol is Cc1ccc(-c2cnc(-c3ccc(Cl)c(S(=O)(=O)N4CCC(O)CC4)c3)[nH]2)cc1.
What is the InChIKey of 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
The InChIKey is GURITVBLIDRXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-14-2-4-15(5-3-14)19-13-23-21(24-19)16-6-7-18(22)20(12-16)29(27,28)25-10-8-17(26)9-11-25/h2-7,12-13,17,26H,8-11H2,1H3,(H,23,24).
What are the key properties of 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol?
1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol has a molecular weight of 431.95 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 122594630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).