1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea

C16H22N4O2 — CID 71789054

IUPAC1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
SMILESCOCCNC(=O)NCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-22-13-10-19-16(21)18-8-5-11-20-12-9-17-15(20)14-6-3-2-4-7-14/h2-4,6-7,9,12H,5,8,10-11,13H2,1H3,(H2,18,19,21)
InChIKeyJJAPVIGWYHVRSE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.89
Rot. Bonds8

About 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea

1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea (PubChem CID 71789054) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
PubChem CID71789054
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
SMILESCOCCNC(=O)NCCCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-22-13-10-19-16(21)18-8-5-11-20-12-9-17-15(20)14-6-3-2-4-7-14/h2-4,6-7,9,12H,5,8,10-11,13H2,1H3,(H2,18,19,21)
InChIKeyJJAPVIGWYHVRSE-UHFFFAOYSA-N
XLogP1.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
CID 90589073
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide
CID 71789005
4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
1-(2-methoxyethyl)-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111770568
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea (CID 71789054) is 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea is COCCNC(=O)NCCCn1ccnc1-c1ccccc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea?
The InChIKey is JJAPVIGWYHVRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-22-13-10-19-16(21)18-8-5-11-20-12-9-17-15(20)14-6-3-2-4-7-14/h2-4,6-7,9,12H,5,8,10-11,13H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea?
1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea has a molecular weight of 302.38 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 71789054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).