1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea

C13H18N4O2 — CID 47253356

IUPAC1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
SMILESCC(Cn1ccnc1)NC(=O)N(C)Cc1ccco1
InChIInChI=1S/C13H18N4O2/c1-11(8-17-6-5-14-10-17)15-13(18)16(2)9-12-4-3-7-19-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,18)
InChIKeyJERVSMAHAUFUCQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.71
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea

1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea (PubChem CID 47253356) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
PubChem CID47253356
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
SMILESCC(Cn1ccnc1)NC(=O)N(C)Cc1ccco1
InChIInChI=1S/C13H18N4O2/c1-11(8-17-6-5-14-10-17)15-13(18)16(2)9-12-4-3-7-19-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,18)
InChIKeyJERVSMAHAUFUCQ-UHFFFAOYSA-N
XLogP1.71
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea (CID 47253356) is 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea is CC(Cn1ccnc1)NC(=O)N(C)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The InChIKey is JERVSMAHAUFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-11(8-17-6-5-14-10-17)15-13(18)16(2)9-12-4-3-7-19-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea has a molecular weight of 262.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea is sourced from PubChem (CID 47253356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).