1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea

C16H22N4O3 — CID 154766739

IUPAC1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCCc1ccccc1)NOCCO
InChIInChI=1S/C16H22N4O3/c21-11-12-23-19-16(22)18-13-15-17-8-10-20(15)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,21H,4,7,9,11-13H2,(H2,18,19,22)
InChIKeyCXISZRCFAXBUFC-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.24
Rot. Bonds9

About 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea

1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea (PubChem CID 154766739) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
PubChem CID154766739
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
SMILESO=C(NCc1nccn1CCCc1ccccc1)NOCCO
InChIInChI=1S/C16H22N4O3/c21-11-12-23-19-16(22)18-13-15-17-8-10-20(15)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,21H,4,7,9,11-13H2,(H2,18,19,22)
InChIKeyCXISZRCFAXBUFC-UHFFFAOYSA-N
XLogP1.24
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647670
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 120613454
2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate
CID 139970374
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 71975236
5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 166354903

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea (CID 154766739) is 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea is O=C(NCc1nccn1CCCc1ccccc1)NOCCO.
What is the InChIKey of 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea?
The InChIKey is CXISZRCFAXBUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-11-12-23-19-16(22)18-13-15-17-8-10-20(15)9-4-7-14-5-2-1-3-6-14/h1-3,5-6,8,10,21H,4,7,9,11-13H2,(H2,18,19,22).
What are the key properties of 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea?
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea has a molecular weight of 318.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 154766739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).