1H-imidazole;phenylurea;propanoic acid

C16H24N4O5 — CID 158505716

IUPAC1H-imidazole;phenylurea;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.NC(=O)Nc1ccccc1.c1c[nH]cn1
InChIInChI=1S/C7H8N2O.C3H4N2.2C3H6O2/c8-7(10)9-6-4-2-1-3-5-6;1-2-5-3-4-1;2*1-2-3(4)5/h1-5H,(H3,8,9,10);1-3H,(H,4,5);2*2H2,1H3,(H,4,5)
InChIKeyHKLBMYTZBSUBCS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.55
Rot. Bonds3

About 1H-imidazole;phenylurea;propanoic acid

1H-imidazole;phenylurea;propanoic acid (PubChem CID 158505716) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1H-imidazole;phenylurea;propanoic acid.

Molecular Properties

Compound Name1H-imidazole;phenylurea;propanoic acid
PubChem CID158505716
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name1H-imidazole;phenylurea;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.NC(=O)Nc1ccccc1.c1c[nH]cn1
InChIInChI=1S/C7H8N2O.C3H4N2.2C3H6O2/c8-7(10)9-6-4-2-1-3-5-6;1-2-5-3-4-1;2*1-2-3(4)5/h1-5H,(H3,8,9,10);1-3H,(H,4,5);2*2H2,1H3,(H,4,5)
InChIKeyHKLBMYTZBSUBCS-UHFFFAOYSA-N
XLogP2.55
TPSA158.40 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1H-imidazole;phenylurea;propanoic acid 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

1,3-diphenylurea;1H-imidazole;propanoic acid
CID 162181886
ethanol;phenylurea
CID 158950745
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane;1H-imidazole;propanoic acid
CID 175561795
molecular hydrogen;phenylurea
CID 143657584
phenylurea;thiourea
CID 160770333
benzamide;phenylurea
CID 143432016
anilino methanesulfonate;1H-imidazole
CID 175330405
1H-imidazole;nitroxyl
CID 174498355
ethane;methane;N-phenylpropanamide
CID 159778408
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate
CID 117344331
2-amino-2-methylhexanoic acid;1H-imidazole
CID 175490128

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;phenylurea;propanoic acid?
The IUPAC name of 1H-imidazole;phenylurea;propanoic acid (CID 158505716) is 1H-imidazole;phenylurea;propanoic acid.
What is the SMILES notation for 1H-imidazole;phenylurea;propanoic acid?
The canonical SMILES for 1H-imidazole;phenylurea;propanoic acid is CCC(=O)O.CCC(=O)O.NC(=O)Nc1ccccc1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;phenylurea;propanoic acid?
The InChIKey is HKLBMYTZBSUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C3H4N2.2C3H6O2/c8-7(10)9-6-4-2-1-3-5-6;1-2-5-3-4-1;2*1-2-3(4)5/h1-5H,(H3,8,9,10);1-3H,(H,4,5);2*2H2,1H3,(H,4,5).
What are the key properties of 1H-imidazole;phenylurea;propanoic acid?
1H-imidazole;phenylurea;propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;phenylurea;propanoic acid is sourced from PubChem (CID 158505716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).