1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea

C15H22N4O2 — CID 51083400

IUPAC1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)13(10-19-7-6-16-11-19)18-14(20)17-9-12-5-4-8-21-12/h4-8,11,13H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyKACVAQYKXRERPO-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.39
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea

1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea (PubChem CID 51083400) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
PubChem CID51083400
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)13(10-19-7-6-16-11-19)18-14(20)17-9-12-5-4-8-21-12/h4-8,11,13H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyKACVAQYKXRERPO-UHFFFAOYSA-N
XLogP2.39
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea (CID 51083400) is 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea is CC(C)(C)C(Cn1ccnc1)NC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
The InChIKey is KACVAQYKXRERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)13(10-19-7-6-16-11-19)18-14(20)17-9-12-5-4-8-21-12/h4-8,11,13H,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea?
1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea has a molecular weight of 290.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea is sourced from PubChem (CID 51083400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).