1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea

C14H24N4O — CID 91911720

IUPAC1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C14H24N4O/c1-3-7-15-14(19)16-8-6-13-17-9-11(2)18(13)10-12-4-5-12/h9,12H,3-8,10H2,1-2H3,(H2,15,16,19)
InChIKeyXQMOBOSJGFIEIM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.85
Rot. Bonds7

About 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea

1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea (PubChem CID 91911720) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea
PubChem CID91911720
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C14H24N4O/c1-3-7-15-14(19)16-8-6-13-17-9-11(2)18(13)10-12-4-5-12/h9,12H,3-8,10H2,1-2H3,(H2,15,16,19)
InChIKeyXQMOBOSJGFIEIM-UHFFFAOYSA-N
XLogP1.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea?
The IUPAC name of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea (CID 91911720) is 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea?
The canonical SMILES for 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea is CCCNC(=O)NCCc1ncc(C)n1CC1CC1.
What is the InChIKey of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea?
The InChIKey is XQMOBOSJGFIEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-7-15-14(19)16-8-6-13-17-9-11(2)18(13)10-12-4-5-12/h9,12H,3-8,10H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea?
1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea has a molecular weight of 264.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]-3-propylurea is sourced from PubChem (CID 91911720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).