1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea

C17H24N4O2 — CID 57237559

IUPAC1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea
SMILESCC(C)C(CCON(Cc1ccccc1)C(N)=O)c1cnc[nH]1
InChIInChI=1S/C17H24N4O2/c1-13(2)15(16-10-19-12-20-16)8-9-23-21(17(18)22)11-14-6-4-3-5-7-14/h3-7,10,12-13,15H,8-9,11H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyDGZIFORIRKJTMU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.05
Rot. Bonds8

About 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea

1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea (PubChem CID 57237559) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea.

Molecular Properties

Compound Name1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea
PubChem CID57237559
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea
SMILESCC(C)C(CCON(Cc1ccccc1)C(N)=O)c1cnc[nH]1
InChIInChI=1S/C17H24N4O2/c1-13(2)15(16-10-19-12-20-16)8-9-23-21(17(18)22)11-14-6-4-3-5-7-14/h3-7,10,12-13,15H,8-9,11H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyDGZIFORIRKJTMU-UHFFFAOYSA-N
XLogP3.05
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl 2-(1H-imidazol-5-yl)propanoate
CID 70010888
1-benzyl-1-phenylmethoxyurea
CID 22444379
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
[3-(1H-imidazol-5-yl)-6-phenylhexoxy]urea
CID 57170017
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
1-[[4-[3-[4-[[carbamoyl(phenylmethoxy)amino]methyl]benzoyl]benzoyl]phenyl]methyl]-1-phenylmethoxyurea
CID 54061666
2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 161184673
[3-(1H-imidazol-5-yl)-3-(4-methylphenyl)propoxy]urea
CID 57240251
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide
CID 126519994
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea?
The IUPAC name of 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea (CID 57237559) is 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea.
What is the SMILES notation for 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea?
The canonical SMILES for 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea is CC(C)C(CCON(Cc1ccccc1)C(N)=O)c1cnc[nH]1.
What is the InChIKey of 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea?
The InChIKey is DGZIFORIRKJTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)15(16-10-19-12-20-16)8-9-23-21(17(18)22)11-14-6-4-3-5-7-14/h3-7,10,12-13,15H,8-9,11H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea?
1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea has a molecular weight of 316.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea is sourced from PubChem (CID 57237559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).