1,3-diphenylurea;1H-imidazole;propanoic acid

C22H28N4O5 — CID 162181886

IUPAC1,3-diphenylurea;1H-imidazole;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.O=C(Nc1ccccc1)Nc1ccccc1.c1c[nH]cn1
InChIInChI=1S/C13H12N2O.C3H4N2.2C3H6O2/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-5-3-4-1;2*1-2-3(4)5/h1-10H,(H2,14,15,16);1-3H,(H,4,5);2*2H2,1H3,(H,4,5)
InChIKeyZPDFIZUPOYPFBX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.70
Rot. Bonds4

About 1,3-diphenylurea;1H-imidazole;propanoic acid

1,3-diphenylurea;1H-imidazole;propanoic acid (PubChem CID 162181886) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1,3-diphenylurea;1H-imidazole;propanoic acid.

Molecular Properties

Compound Name1,3-diphenylurea;1H-imidazole;propanoic acid
PubChem CID162181886
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name1,3-diphenylurea;1H-imidazole;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.O=C(Nc1ccccc1)Nc1ccccc1.c1c[nH]cn1
InChIInChI=1S/C13H12N2O.C3H4N2.2C3H6O2/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-5-3-4-1;2*1-2-3(4)5/h1-10H,(H2,14,15,16);1-3H,(H,4,5);2*2H2,1H3,(H,4,5)
InChIKeyZPDFIZUPOYPFBX-UHFFFAOYSA-N
XLogP4.70
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 158505716
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2-[4-(phenylcarbamoylamino)phenyl]acetic acid
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ethane;methane;N-phenylpropanamide
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1-phenyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 10658473
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
1-(butan-2-ylideneamino)-3-phenylurea
CID 904424
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
N-ethyl-4-(phenylcarbamoylamino)benzamide
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CID 110747699

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylurea;1H-imidazole;propanoic acid?
The IUPAC name of 1,3-diphenylurea;1H-imidazole;propanoic acid (CID 162181886) is 1,3-diphenylurea;1H-imidazole;propanoic acid.
What is the SMILES notation for 1,3-diphenylurea;1H-imidazole;propanoic acid?
The canonical SMILES for 1,3-diphenylurea;1H-imidazole;propanoic acid is CCC(=O)O.CCC(=O)O.O=C(Nc1ccccc1)Nc1ccccc1.c1c[nH]cn1.
What is the InChIKey of 1,3-diphenylurea;1H-imidazole;propanoic acid?
The InChIKey is ZPDFIZUPOYPFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C3H4N2.2C3H6O2/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-5-3-4-1;2*1-2-3(4)5/h1-10H,(H2,14,15,16);1-3H,(H,4,5);2*2H2,1H3,(H,4,5).
What are the key properties of 1,3-diphenylurea;1H-imidazole;propanoic acid?
1,3-diphenylurea;1H-imidazole;propanoic acid has a molecular weight of 428.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylurea;1H-imidazole;propanoic acid is sourced from PubChem (CID 162181886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).