3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea

C23H28N4O2 — CID 42699795

IUPAC3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESCCNC(=O)N(CCCn1ccnc1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N4O2/c1-2-25-23(28)27(15-6-14-26-16-13-24-19-26)17-20-9-11-22(12-10-20)29-18-21-7-4-3-5-8-21/h3-5,7-13,16,19H,2,6,14-15,17-18H2,1H3,(H,25,28)
InChIKeyBNBSHIRETGOMLF-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.08
Rot. Bonds10

About 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea

3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea (PubChem CID 42699795) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
PubChem CID42699795
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
SMILESCCNC(=O)N(CCCn1ccnc1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N4O2/c1-2-25-23(28)27(15-6-14-26-16-13-24-19-26)17-20-9-11-22(12-10-20)29-18-21-7-4-3-5-8-21/h3-5,7-13,16,19H,2,6,14-15,17-18H2,1H3,(H,25,28)
InChIKeyBNBSHIRETGOMLF-UHFFFAOYSA-N
XLogP4.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
CID 47023595
N-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-3-carboxamide
CID 112805655
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 55794944
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-imidazol-1-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826138
N-(3-imidazol-1-ylpropyl)-2-(4-phenylmethoxyphenyl)propan-2-amine;dihydrochloride
CID 18349638
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 67651862
N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine
CID 18349622
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
CID 46982202

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea (CID 42699795) is 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea is CCNC(=O)N(CCCn1ccnc1)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
The InChIKey is BNBSHIRETGOMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-25-23(28)27(15-6-14-26-16-13-24-19-26)17-20-9-11-22(12-10-20)29-18-21-7-4-3-5-8-21/h3-5,7-13,16,19H,2,6,14-15,17-18H2,1H3,(H,25,28).
What are the key properties of 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea?
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea has a molecular weight of 392.50 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 42699795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).