1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea

C14H26N4O — CID 58592880

IUPAC1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCn1cnc(C(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-6-17(7-2)14(19)15-8-9-18-10-16-13(11(3)4)12(18)5/h10-11H,6-9H2,1-5H3,(H,15,19)
InChIKeyRICWUHBLAJTAOU-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.37
Rot. Bonds6

About 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea

1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea (PubChem CID 58592880) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
PubChem CID58592880
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCn1cnc(C(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-6-17(7-2)14(19)15-8-9-18-10-16-13(11(3)4)12(18)5/h10-11H,6-9H2,1-5H3,(H,15,19)
InChIKeyRICWUHBLAJTAOU-UHFFFAOYSA-N
XLogP2.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea (CID 58592880) is 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea is CCN(CC)C(=O)NCCn1cnc(C(C)C)c1C.
What is the InChIKey of 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
The InChIKey is RICWUHBLAJTAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-17(7-2)14(19)15-8-9-18-10-16-13(11(3)4)12(18)5/h10-11H,6-9H2,1-5H3,(H,15,19).
What are the key properties of 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea has a molecular weight of 266.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 58592880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).