1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea

C18H25ClN4O2 — CID 122564585

IUPAC1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
SMILESCCOc1ccc(Cl)cc1CN(C)C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C18H25ClN4O2/c1-5-25-16-7-6-15(19)10-14(16)12-22(4)18(24)21-11-17-20-8-9-23(17)13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H,21,24)
InChIKeyAODBCRMUUSNVCE-UHFFFAOYSA-N
MW364.88 g/mol
LogP3.86
Rot. Bonds7

About 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea

1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea (PubChem CID 122564585) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
PubChem CID122564585
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
SMILESCCOc1ccc(Cl)cc1CN(C)C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C18H25ClN4O2/c1-5-25-16-7-6-15(19)10-14(16)12-22(4)18(24)21-11-17-20-8-9-23(17)13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H,21,24)
InChIKeyAODBCRMUUSNVCE-UHFFFAOYSA-N
XLogP3.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea with MolForge

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3-ethoxypropyl)-1-methylurea
CID 119064750
N-[(5-chloro-2-ethoxyphenyl)methyl]-2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
CID 91829225
2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134050131
1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide
CID 70755136
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
CID 112798057
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 87008091
N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
CID 119071472
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine
CID 111708677
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
CID 112825322
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
3-[(4-chloro-2-methoxyphenyl)methyl]-1-methyl-1-[(1-methylpyrazol-3-yl)methyl]urea
CID 138049627
2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134044459

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea (CID 122564585) is 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea is CCOc1ccc(Cl)cc1CN(C)C(=O)NCc1nccn1C(C)C.
What is the InChIKey of 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
The InChIKey is AODBCRMUUSNVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-5-25-16-7-6-15(19)10-14(16)12-22(4)18(24)21-11-17-20-8-9-23(17)13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H,21,24).
What are the key properties of 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea?
1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea has a molecular weight of 364.88 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 122564585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).