1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea

C15H28N4O2 — CID 71878374

IUPAC1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea
SMILESCC(C)(C)CN(CCCO)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)12-19(9-5-11-20)14(21)17-6-4-8-18-10-7-16-13-18/h7,10,13,20H,4-6,8-9,11-12H2,1-3H3,(H,17,21)
InChIKeyNNTMUIJRZDJLMC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds8

About 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea

1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 71878374) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea
PubChem CID71878374
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea
SMILESCC(C)(C)CN(CCCO)C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)12-19(9-5-11-20)14(21)17-6-4-8-18-10-7-16-13-18/h7,10,13,20H,4-6,8-9,11-12H2,1-3H3,(H,17,21)
InChIKeyNNTMUIJRZDJLMC-UHFFFAOYSA-N
XLogP1.71
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea (CID 71878374) is 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea is CC(C)(C)CN(CCCO)C(=O)NCCCn1ccnc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is NNTMUIJRZDJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,3)12-19(9-5-11-20)14(21)17-6-4-8-18-10-7-16-13-18/h7,10,13,20H,4-6,8-9,11-12H2,1-3H3,(H,17,21).
What are the key properties of 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea?
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 296.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 71878374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).