1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea

C21H26N4O2S — CID 55766950

IUPAC1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
SMILESCCOc1ccc(CN(CCCn2ccnc2)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C21H26N4O2S/c1-2-27-19-8-6-18(7-9-19)16-25(12-4-11-24-13-10-22-17-24)21(26)23-15-20-5-3-14-28-20/h3,5-10,13-14,17H,2,4,11-12,15-16H2,1H3,(H,23,26)
InChIKeyWXMNLROEMZKAOP-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.15
Rot. Bonds10

About 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea

1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 55766950) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID55766950
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
SMILESCCOc1ccc(CN(CCCn2ccnc2)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C21H26N4O2S/c1-2-27-19-8-6-18(7-9-19)16-25(12-4-11-24-13-10-22-17-24)21(26)23-15-20-5-3-14-28-20/h3,5-10,13-14,17H,2,4,11-12,15-16H2,1H3,(H,23,26)
InChIKeyWXMNLROEMZKAOP-UHFFFAOYSA-N
XLogP4.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
CID 47023595
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 55794944
N-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-3-carboxamide
CID 112805655
3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699799
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-imidazol-1-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826138
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
(2S)-2-(4-ethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1325020
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
CID 46982202
3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
CID 61196356

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea (CID 55766950) is 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea is CCOc1ccc(CN(CCCn2ccnc2)C(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is WXMNLROEMZKAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-2-27-19-8-6-18(7-9-19)16-25(12-4-11-24-13-10-22-17-24)21(26)23-15-20-5-3-14-28-20/h3,5-10,13-14,17H,2,4,11-12,15-16H2,1H3,(H,23,26).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea?
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 398.53 g/mol, XLogP of 4.15, 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-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 55766950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).