3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

C15H20N4OS — CID 118781362

IUPAC3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCCSc1ccccc1NC(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C15H20N4OS/c1-4-21-13-8-6-5-7-12(13)18-15(20)19(3)10-14-16-9-11(2)17-14/h5-9H,4,10H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyFUXDTZIZCRXASU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.49
Rot. Bonds5

About 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 118781362) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
PubChem CID118781362
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCCSc1ccccc1NC(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C15H20N4OS/c1-4-21-13-8-6-5-7-12(13)18-15(20)19(3)10-14-16-9-11(2)17-14/h5-9H,4,10H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyFUXDTZIZCRXASU-UHFFFAOYSA-N
XLogP3.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 118780664
3-[(2S)-2-[ethyl(methyl)amino]butyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 125443963
(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide
CID 125177880
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
3-(2-chlorophenyl)-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64512474
3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 125447310
1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea
CID 55698725
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
5-ethylsulfanyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154886451
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
3-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]sulfanylpropanamide
CID 56586769

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (CID 118781362) is 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is CCSc1ccccc1NC(=O)N(C)Cc1ncc(C)[nH]1.
What is the InChIKey of 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is FUXDTZIZCRXASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-21-13-8-6-5-7-12(13)18-15(20)19(3)10-14-16-9-11(2)17-14/h5-9H,4,10H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 304.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 118781362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).