3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea

C14H20N4O — CID 82245950

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C14H20N4O/c1-3-18(4-2)14(19)17-12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyGASSBRGPEGMNIJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds4

About 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea (PubChem CID 82245950) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
PubChem CID82245950
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C14H20N4O/c1-3-18(4-2)14(19)17-12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyGASSBRGPEGMNIJ-UHFFFAOYSA-N
XLogP1.91
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea (CID 82245950) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
The InChIKey is GASSBRGPEGMNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18(4-2)14(19)17-12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea has a molecular weight of 260.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea is sourced from PubChem (CID 82245950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).