4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one

C21H19N3O2S — CID 11406269

IUPAC4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one
SMILESCc1cc(COc2ccc(SCc3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIInChI=1S/C21H19N3O2S/c1-14-10-15(19-4-2-3-5-20(19)23-14)12-26-17-6-8-18(9-7-17)27-13-16-11-22-21(25)24-16/h2-11H,12-13H2,1H3,(H2,22,24,25)
InChIKeyRZHOCDTWUDWGIH-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.43
Rot. Bonds6

About 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one

4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one (PubChem CID 11406269) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one
PubChem CID11406269
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one
SMILESCc1cc(COc2ccc(SCc3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1
InChIInChI=1S/C21H19N3O2S/c1-14-10-15(19-4-2-3-5-20(19)23-14)12-26-17-6-8-18(9-7-17)27-13-16-11-22-21(25)24-16/h2-11H,12-13H2,1H3,(H2,22,24,25)
InChIKeyRZHOCDTWUDWGIH-UHFFFAOYSA-N
XLogP4.43
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
CID 91218925
[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
CID 143099066
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185
2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
CID 91936088
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-2-phenylethyl]benzamide
CID 143650504
(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
CID 163750186
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
(2S,3R)-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 25138241

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one (CID 11406269) is 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one is Cc1cc(COc2ccc(SCc3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1.
What is the InChIKey of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is RZHOCDTWUDWGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14-10-15(19-4-2-3-5-20(19)23-14)12-26-17-6-8-18(9-7-17)27-13-16-11-22-21(25)24-16/h2-11H,12-13H2,1H3,(H2,22,24,25).
What are the key properties of 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one?
4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 377.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfanylmethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 11406269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).