[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea

C19H18N4O2S — CID 33298924

IUPAC[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
SMILESCc1cccc(-n2ccnc2SCC(=O)c2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C19H18N4O2S/c1-13-3-2-4-16(11-13)23-10-9-21-19(23)26-12-17(24)14-5-7-15(8-6-14)22-18(20)25/h2-11H,12H2,1H3,(H3,20,22,25)
InChIKeyXPDZZYNGSXSHJH-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.65
Rot. Bonds6

About [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea

[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea (PubChem CID 33298924) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
PubChem CID33298924
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
SMILESCc1cccc(-n2ccnc2SCC(=O)c2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C19H18N4O2S/c1-13-3-2-4-16(11-13)23-10-9-21-19(23)26-12-17(24)14-5-7-15(8-6-14)22-18(20)25/h2-11H,12H2,1H3,(H3,20,22,25)
InChIKeyXPDZZYNGSXSHJH-UHFFFAOYSA-N
XLogP3.65
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33298554
3-[2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide
CID 51363244
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide
CID 33362219
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734
1-[4-[2-hydroxy-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropoxy]phenyl]propan-1-one
CID 24579904
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30828916
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507

Frequently Asked Questions

What is the IUPAC name of [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea?
The IUPAC name of [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea (CID 33298924) is [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea.
What is the SMILES notation for [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea?
The canonical SMILES for [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea is Cc1cccc(-n2ccnc2SCC(=O)c2ccc(NC(N)=O)cc2)c1.
What is the InChIKey of [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea?
The InChIKey is XPDZZYNGSXSHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-3-2-4-16(11-13)23-10-9-21-19(23)26-12-17(24)14-5-7-15(8-6-14)22-18(20)25/h2-11H,12H2,1H3,(H3,20,22,25).
What are the key properties of [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea?
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea has a molecular weight of 366.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea is sourced from PubChem (CID 33298924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).