3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea

C10H18N4O — CID 68556614

IUPAC3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea
SMILESC=CCN1C=CN(CCCNC(N)=O)C1
InChIInChI=1S/C10H18N4O/c1-2-5-13-7-8-14(9-13)6-3-4-12-10(11)15/h2,7-8H,1,3-6,9H2,(H3,11,12,15)
InChIKeySJFNLJCSSSHKDH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.28
Rot. Bonds6

About 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea

3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea (PubChem CID 68556614) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea.

Molecular Properties

Compound Name3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea
PubChem CID68556614
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea
SMILESC=CCN1C=CN(CCCNC(N)=O)C1
InChIInChI=1S/C10H18N4O/c1-2-5-13-7-8-14(9-13)6-3-4-12-10(11)15/h2,7-8H,1,3-6,9H2,(H3,11,12,15)
InChIKeySJFNLJCSSSHKDH-UHFFFAOYSA-N
XLogP0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea?
The IUPAC name of 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea (CID 68556614) is 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea.
What is the SMILES notation for 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea?
The canonical SMILES for 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea is C=CCN1C=CN(CCCNC(N)=O)C1.
What is the InChIKey of 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea?
The InChIKey is SJFNLJCSSSHKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-5-13-7-8-14(9-13)6-3-4-12-10(11)15/h2,7-8H,1,3-6,9H2,(H3,11,12,15).
What are the key properties of 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea?
3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea has a molecular weight of 210.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea is sourced from PubChem (CID 68556614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).