1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea

C15H18N4O2 — CID 72907827

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc2c(c1)COC2
InChIInChI=1S/C15H18N4O2/c20-15(17-4-1-6-19-7-5-16-11-19)18-14-3-2-12-9-21-10-13(12)8-14/h2-3,5,7-8,11H,1,4,6,9-10H2,(H2,17,18,20)
InChIKeyZUCUJSWEGXMEKQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.13
Rot. Bonds5

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 72907827) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea
PubChem CID72907827
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc2c(c1)COC2
InChIInChI=1S/C15H18N4O2/c20-15(17-4-1-6-19-7-5-16-11-19)18-14-3-2-12-9-21-10-13(12)8-14/h2-3,5,7-8,11H,1,4,6,9-10H2,(H2,17,18,20)
InChIKeyZUCUJSWEGXMEKQ-UHFFFAOYSA-N
XLogP2.13
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.13
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-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 125167700
N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide
CID 166244983
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 60612019
1-(6-fluoro-4H-1,3-benzodioxin-8-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 11537043
1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 60545929
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
2-hydroxy-5-(2-imidazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461800
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64889268
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea (CID 72907827) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea is O=C(NCCCn1ccnc1)Nc1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is ZUCUJSWEGXMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(17-4-1-6-19-7-5-16-11-19)18-14-3-2-12-9-21-10-13(12)8-14/h2-3,5,7-8,11H,1,4,6,9-10H2,(H2,17,18,20).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 286.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 72907827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).