1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea

C15H26N4O — CID 56784395

IUPAC1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea
SMILESCC1(CNC(=O)NCCCCn2ccnc2)CCCC1
InChIInChI=1S/C15H26N4O/c1-15(6-2-3-7-15)12-18-14(20)17-8-4-5-10-19-11-9-16-13-19/h9,11,13H,2-8,10,12H2,1H3,(H2,17,18,20)
InChIKeyARTDLDCYSXUNDI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds7

About 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea

1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea (PubChem CID 56784395) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea
PubChem CID56784395
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea
SMILESCC1(CNC(=O)NCCCCn2ccnc2)CCCC1
InChIInChI=1S/C15H26N4O/c1-15(6-2-3-7-15)12-18-14(20)17-8-4-5-10-19-11-9-16-13-19/h9,11,13H,2-8,10,12H2,1H3,(H2,17,18,20)
InChIKeyARTDLDCYSXUNDI-UHFFFAOYSA-N
XLogP2.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
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-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea?
The IUPAC name of 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea (CID 56784395) is 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea?
The canonical SMILES for 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea is CC1(CNC(=O)NCCCCn2ccnc2)CCCC1.
What is the InChIKey of 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea?
The InChIKey is ARTDLDCYSXUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(6-2-3-7-15)12-18-14(20)17-8-4-5-10-19-11-9-16-13-19/h9,11,13H,2-8,10,12H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea?
1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea is sourced from PubChem (CID 56784395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).