3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea

C15H24N6O — CID 122560925

IUPAC3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)NCc1cncn1CC
InChIInChI=1S/C15H24N6O/c1-4-7-21(11-14-17-6-8-19(14)3)15(22)18-10-13-9-16-12-20(13)5-2/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,18,22)
InChIKeyRQGMDNADKXKSMD-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.76
Rot. Bonds7

About 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea

3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea (PubChem CID 122560925) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea.

Molecular Properties

Compound Name3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
PubChem CID122560925
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)NCc1cncn1CC
InChIInChI=1S/C15H24N6O/c1-4-7-21(11-14-17-6-8-19(14)3)15(22)18-10-13-9-16-12-20(13)5-2/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,18,22)
InChIKeyRQGMDNADKXKSMD-UHFFFAOYSA-N
XLogP1.76
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
The IUPAC name of 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea (CID 122560925) is 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea.
What is the SMILES notation for 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
The canonical SMILES for 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea is CCCN(Cc1nccn1C)C(=O)NCc1cncn1CC.
What is the InChIKey of 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
The InChIKey is RQGMDNADKXKSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-7-21(11-14-17-6-8-19(14)3)15(22)18-10-13-9-16-12-20(13)5-2/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,18,22).
What are the key properties of 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?
3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea has a molecular weight of 304.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylimidazol-4-yl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea is sourced from PubChem (CID 122560925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).