2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol

C22H24N2O3S — CID 23457651

IUPAC2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol
SMILESCOc1ccc(-c2nc(SC3CCCC3O)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-26-16-10-6-14(7-11-16)20-21(15-8-12-17(27-2)13-9-15)24-22(23-20)28-19-5-3-4-18(19)25/h6-13,18-19,25H,3-5H2,1-2H3,(H,23,24)
InChIKeyKLGSINPPMJGQFG-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.77
Rot. Bonds6

About 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol (PubChem CID 23457651) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol
PubChem CID23457651
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol
SMILESCOc1ccc(-c2nc(SC3CCCC3O)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-26-16-10-6-14(7-11-16)20-21(15-8-12-17(27-2)13-9-15)24-22(23-20)28-19-5-3-4-18(19)25/h6-13,18-19,25H,3-5H2,1-2H3,(H,23,24)
InChIKeyKLGSINPPMJGQFG-UHFFFAOYSA-N
XLogP4.77
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-1H-imidazole
CID 12832321
4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
CID 12832380
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 59486734
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
CID 12832390
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
trans-(1R,2R)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 102735731
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 20556887
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 23889215
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol?
The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol (CID 23457651) is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol is COc1ccc(-c2nc(SC3CCCC3O)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol?
The InChIKey is KLGSINPPMJGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-26-16-10-6-14(7-11-16)20-21(15-8-12-17(27-2)13-9-15)24-22(23-20)28-19-5-3-4-18(19)25/h6-13,18-19,25H,3-5H2,1-2H3,(H,23,24).
What are the key properties of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol?
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol has a molecular weight of 396.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 23457651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).