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

C12H22N4O — CID 58592744

IUPAC1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
SMILESCc1c(C(C)C)ncn1CCNC(=O)N(C)C
InChIInChI=1S/C12H22N4O/c1-9(2)11-10(3)16(8-14-11)7-6-13-12(17)15(4)5/h8-9H,6-7H2,1-5H3,(H,13,17)
InChIKeyZQGXSXAJQQOSGB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.59
Rot. Bonds4

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

1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea (PubChem CID 58592744) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
PubChem CID58592744
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea
SMILESCc1c(C(C)C)ncn1CCNC(=O)N(C)C
InChIInChI=1S/C12H22N4O/c1-9(2)11-10(3)16(8-14-11)7-6-13-12(17)15(4)5/h8-9H,6-7H2,1-5H3,(H,13,17)
InChIKeyZQGXSXAJQQOSGB-UHFFFAOYSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea (CID 58592744) is 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea is Cc1c(C(C)C)ncn1CCNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
The InChIKey is ZQGXSXAJQQOSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)11-10(3)16(8-14-11)7-6-13-12(17)15(4)5/h8-9H,6-7H2,1-5H3,(H,13,17).
What are the key properties of 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea?
1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea has a molecular weight of 238.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 58592744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).