1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea

C13H24N4O — CID 91923975

IUPAC1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ncc(C)n1C(C)C
InChIInChI=1S/C13H24N4O/c1-5-7-14-13(18)15-8-6-12-16-9-11(4)17(12)10(2)3/h9-10H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyBTKBCUWKCVSWTR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.02
Rot. Bonds6

About 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea

1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea (PubChem CID 91923975) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea
PubChem CID91923975
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ncc(C)n1C(C)C
InChIInChI=1S/C13H24N4O/c1-5-7-14-13(18)15-8-6-12-16-9-11(4)17(12)10(2)3/h9-10H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyBTKBCUWKCVSWTR-UHFFFAOYSA-N
XLogP2.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea (CID 91923975) is 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1ncc(C)n1C(C)C.
What is the InChIKey of 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea?
The InChIKey is BTKBCUWKCVSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-14-13(18)15-8-6-12-16-9-11(4)17(12)10(2)3/h9-10H,5-8H2,1-4H3,(H2,14,15,18).
What are the key properties of 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea?
1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea has a molecular weight of 252.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]-3-propylurea is sourced from PubChem (CID 91923975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).