1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea

C15H25N5O2 — CID 71894674

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea
SMILESCC(Cn1ccnc1)NC(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C15H25N5O2/c1-13(11-19-9-6-16-12-19)18-15(22)17-7-10-20-8-4-2-3-5-14(20)21/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H2,17,18,22)
InChIKeyUVVAITKVGLNOIY-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.97
Rot. Bonds6

About 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea

1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea (PubChem CID 71894674) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea
PubChem CID71894674
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea
SMILESCC(Cn1ccnc1)NC(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C15H25N5O2/c1-13(11-19-9-6-16-12-19)18-15(22)17-7-10-20-8-4-2-3-5-14(20)21/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H2,17,18,22)
InChIKeyUVVAITKVGLNOIY-UHFFFAOYSA-N
XLogP0.97
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea (CID 71894674) is 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea is CC(Cn1ccnc1)NC(=O)NCCN1CCCCCC1=O.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea?
The InChIKey is UVVAITKVGLNOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-13(11-19-9-6-16-12-19)18-15(22)17-7-10-20-8-4-2-3-5-14(20)21/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H2,17,18,22).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea?
1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea has a molecular weight of 307.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea is sourced from PubChem (CID 71894674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).