1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea

C12H24N4O — CID 91518668

IUPAC1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea
SMILESCCCNC(=O)NCCCN1C=CN(C)C1C
InChIInChI=1S/C12H24N4O/c1-4-6-13-12(17)14-7-5-8-16-10-9-15(3)11(16)2/h9-11H,4-8H2,1-3H3,(H2,13,14,17)
InChIKeyFIXUAFPZKHPRDY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds6

About 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea

1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea (PubChem CID 91518668) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea
PubChem CID91518668
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea
SMILESCCCNC(=O)NCCCN1C=CN(C)C1C
InChIInChI=1S/C12H24N4O/c1-4-6-13-12(17)14-7-5-8-16-10-9-15(3)11(16)2/h9-11H,4-8H2,1-3H3,(H2,13,14,17)
InChIKeyFIXUAFPZKHPRDY-UHFFFAOYSA-N
XLogP1.15
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea?
The IUPAC name of 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea (CID 91518668) is 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea.
What is the SMILES notation for 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea?
The canonical SMILES for 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea is CCCNC(=O)NCCCN1C=CN(C)C1C.
What is the InChIKey of 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea?
The InChIKey is FIXUAFPZKHPRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-6-13-12(17)14-7-5-8-16-10-9-15(3)11(16)2/h9-11H,4-8H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea?
1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea has a molecular weight of 240.35 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea is sourced from PubChem (CID 91518668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).