[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea

C15H18Cl2N4OS — CID 21147125

IUPAC[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea
SMILESCC(C)c1nc(CNC(N)=O)n(C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N4OS/c1-8(2)13-14(21(3)12(20-13)7-19-15(18)22)23-11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H3,18,19,22)
InChIKeyJUVOBSJUZSOMLZ-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.17
Rot. Bonds5

About [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea

[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea (PubChem CID 21147125) has the molecular formula C15H18Cl2N4OS and a molecular weight of 373.31 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea
PubChem CID21147125
Molecular FormulaC15H18Cl2N4OS
Molecular Weight373.31 g/mol
Exact Mass372.06
IUPAC Name[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea
SMILESCC(C)c1nc(CNC(N)=O)n(C)c1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N4OS/c1-8(2)13-14(21(3)12(20-13)7-19-15(18)22)23-11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H3,18,19,22)
InChIKeyJUVOBSJUZSOMLZ-UHFFFAOYSA-N
XLogP4.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea?
The IUPAC name of [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea (CID 21147125) is [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea.
What is the SMILES notation for [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea?
The canonical SMILES for [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea is CC(C)c1nc(CNC(N)=O)n(C)c1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea?
The InChIKey is JUVOBSJUZSOMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4OS/c1-8(2)13-14(21(3)12(20-13)7-19-15(18)22)23-11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H3,18,19,22).
What are the key properties of [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea?
[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea has a molecular weight of 373.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea is sourced from PubChem (CID 21147125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).