1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea

C14H24N4O2 — CID 75423072

IUPAC1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC1CCCOC1
InChIInChI=1S/C14H24N4O2/c1-11(2)9-18-6-5-15-13(18)8-16-14(19)17-12-4-3-7-20-10-12/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyGMUNSDKHDLTZNO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.52
Rot. Bonds5

About 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea

1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea (PubChem CID 75423072) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
PubChem CID75423072
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC1CCCOC1
InChIInChI=1S/C14H24N4O2/c1-11(2)9-18-6-5-15-13(18)8-16-14(19)17-12-4-3-7-20-10-12/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyGMUNSDKHDLTZNO-UHFFFAOYSA-N
XLogP1.52
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea?
The IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea (CID 75423072) is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea?
The canonical SMILES for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea is CC(C)Cn1ccnc1CNC(=O)NC1CCCOC1.
What is the InChIKey of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea?
The InChIKey is GMUNSDKHDLTZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)9-18-6-5-15-13(18)8-16-14(19)17-12-4-3-7-20-10-12/h5-6,11-12H,3-4,7-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea?
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea is sourced from PubChem (CID 75423072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).