1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea

C15H20N4O3S — CID 131914214

IUPAC1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cnc(SC)n2C)c(OC)c1
InChIInChI=1S/C15H20N4O3S/c1-19-10(9-17-15(19)23-4)8-16-14(20)18-12-6-5-11(21-2)7-13(12)22-3/h5-7,9H,8H2,1-4H3,(H2,16,18,20)
InChIKeyIGIOTTQATVPEEQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.48
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea

1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea (PubChem CID 131914214) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea
PubChem CID131914214
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cnc(SC)n2C)c(OC)c1
InChIInChI=1S/C15H20N4O3S/c1-19-10(9-17-15(19)23-4)8-16-14(20)18-12-6-5-11(21-2)7-13(12)22-3/h5-7,9H,8H2,1-4H3,(H2,16,18,20)
InChIKeyIGIOTTQATVPEEQ-UHFFFAOYSA-N
XLogP2.48
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
1-(2-methoxyphenyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70712336
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,4-dimethoxyphenyl)urea
CID 20901312
1-(2,4-dimethoxyphenyl)-3-(4-pyridin-3-yloxybut-2-ynyl)urea
CID 90579062
1-(2,4-dimethoxyphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577919
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 86988561
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 53089931
1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
CID 6625903

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea (CID 131914214) is 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea is COc1ccc(NC(=O)NCc2cnc(SC)n2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea?
The InChIKey is IGIOTTQATVPEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-19-10(9-17-15(19)23-4)8-16-14(20)18-12-6-5-11(21-2)7-13(12)22-3/h5-7,9H,8H2,1-4H3,(H2,16,18,20).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea?
1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea has a molecular weight of 336.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]urea is sourced from PubChem (CID 131914214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).