1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea

C14H24N4O2 — CID 75451372

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
SMILESCn1ccnc1CCNC(=O)NCCC1CCCCO1
InChIInChI=1S/C14H24N4O2/c1-18-10-9-15-13(18)6-8-17-14(19)16-7-5-12-4-2-3-11-20-12/h9-10,12H,2-8,11H2,1H3,(H2,16,17,19)
InChIKeyZHEYPZWIXPKFIG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.22
Rot. Bonds6

About 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea

1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 75451372) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID75451372
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
SMILESCn1ccnc1CCNC(=O)NCCC1CCCCO1
InChIInChI=1S/C14H24N4O2/c1-18-10-9-15-13(18)6-8-17-14(19)16-7-5-12-4-2-3-11-20-12/h9-10,12H,2-8,11H2,1H3,(H2,16,17,19)
InChIKeyZHEYPZWIXPKFIG-UHFFFAOYSA-N
XLogP1.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea (CID 75451372) is 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea is Cn1ccnc1CCNC(=O)NCCC1CCCCO1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is ZHEYPZWIXPKFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-18-10-9-15-13(18)6-8-17-14(19)16-7-5-12-4-2-3-11-20-12/h9-10,12H,2-8,11H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 75451372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).