1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea

C23H28N4O3 — CID 47023595

IUPAC1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
SMILESCCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H28N4O3/c1-3-30-22-9-5-19(6-10-22)17-27(15-4-14-26-16-13-24-18-26)23(28)25-20-7-11-21(29-2)12-8-20/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,25,28)
InChIKeyXSGRLNPISNLXKQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.41
Rot. Bonds10

About 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea

1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea (PubChem CID 47023595) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
PubChem CID47023595
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
SMILESCCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H28N4O3/c1-3-30-22-9-5-19(6-10-22)17-27(15-4-14-26-16-13-24-18-26)23(28)25-20-7-11-21(29-2)12-8-20/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,25,28)
InChIKeyXSGRLNPISNLXKQ-UHFFFAOYSA-N
XLogP4.41
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699799
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 55766950
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
3-(3,5-dimethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea
CID 3392125
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 55794944
1-(3-imidazol-1-ylpropyl)-1-[(4-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42699785
N-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-3-carboxamide
CID 112805655
[4-[[butyl-[(4-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 5179532
3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]urea
CID 4204238
3-(4-butoxyphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085289
3-(2,4-difluorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(3-imidazol-1-ylpropyl)urea
CID 42706560
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea (CID 47023595) is 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea is CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea?
The InChIKey is XSGRLNPISNLXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-30-22-9-5-19(6-10-22)17-27(15-4-14-26-16-13-24-18-26)23(28)25-20-7-11-21(29-2)12-8-20/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,25,28).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea?
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea has a molecular weight of 408.50 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 47023595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).