1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea

C16H22N4O2 — CID 23219010

IUPAC1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
SMILESNC(=O)N(CCCc1ccccc1)OCCCc1cnc[nH]1
InChIInChI=1S/C16H22N4O2/c17-16(21)20(10-4-8-14-6-2-1-3-7-14)22-11-5-9-15-12-18-13-19-15/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,21)(H,18,19)
InChIKeyCYBUXBOVOTUBFM-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.29
Rot. Bonds9

About 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea

1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea (PubChem CID 23219010) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
PubChem CID23219010
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
SMILESNC(=O)N(CCCc1ccccc1)OCCCc1cnc[nH]1
InChIInChI=1S/C16H22N4O2/c17-16(21)20(10-4-8-14-6-2-1-3-7-14)22-11-5-9-15-12-18-13-19-15/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,21)(H,18,19)
InChIKeyCYBUXBOVOTUBFM-UHFFFAOYSA-N
XLogP2.29
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)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-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea
CID 23219024
1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 23219067
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
CID 10567715
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
2-[3-(1H-imidazol-5-yl)propoxy]acetic acid;hydrochloride
CID 19766310
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
CID 45120901
3-(1H-imidazol-5-yl)propyl 3-(4-iodophenyl)propanoate
CID 10620015
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
tert-butyl 3-(1H-imidazol-5-yl)-2-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]propanoate
CID 123393242
1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea
CID 57237559

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea (CID 23219010) is 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea is NC(=O)N(CCCc1ccccc1)OCCCc1cnc[nH]1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea?
The InChIKey is CYBUXBOVOTUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-16(21)20(10-4-8-14-6-2-1-3-7-14)22-11-5-9-15-12-18-13-19-15/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,21)(H,18,19).
What are the key properties of 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea?
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea has a molecular weight of 302.38 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea is sourced from PubChem (CID 23219010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).