1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea

C15H17F3N4O2 — CID 23219067

IUPAC1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESNC(=O)N(Cc1ccc(C(F)(F)F)cc1)OCCCc1cnc[nH]1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)12-5-3-11(4-6-12)9-22(14(19)23)24-7-1-2-13-8-20-10-21-13/h3-6,8,10H,1-2,7,9H2,(H2,19,23)(H,20,21)
InChIKeyHBFKRBZHWSYIGW-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.87
Rot. Bonds7

About 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea

1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 23219067) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID23219067
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESNC(=O)N(Cc1ccc(C(F)(F)F)cc1)OCCCc1cnc[nH]1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)12-5-3-11(4-6-12)9-22(14(19)23)24-7-1-2-13-8-20-10-21-13/h3-6,8,10H,1-2,7,9H2,(H2,19,23)(H,20,21)
InChIKeyHBFKRBZHWSYIGW-UHFFFAOYSA-N
XLogP2.87
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole
CID 10828898
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
1-(cyclopropylmethyl)-1-[3-(1H-imidazol-5-yl)propoxy]urea
CID 23219024
3-(1H-imidazol-5-yl)propyl N-(trifluoromethyl)carbamate
CID 19710619
3-(1H-imidazol-5-yl)propyl 3-(4-iodophenyl)propanoate
CID 10620015
1-benzyl-1-[3-(1H-imidazol-5-yl)-4-methylpentoxy]urea
CID 57237559
N-[2-(1H-imidazol-5-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 10083717
2-[3-(1H-imidazol-5-yl)propoxy]acetic acid;hydrochloride
CID 19766310
guanidine;3-(1H-imidazol-5-yl)propyl hydrogen sulfate
CID 174589789
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
CID 45120901

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 23219067) is 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea is NC(=O)N(Cc1ccc(C(F)(F)F)cc1)OCCCc1cnc[nH]1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is HBFKRBZHWSYIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c16-15(17,18)12-5-3-11(4-6-12)9-22(14(19)23)24-7-1-2-13-8-20-10-21-13/h3-6,8,10H,1-2,7,9H2,(H2,19,23)(H,20,21).
What are the key properties of 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 342.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 23219067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).