[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate

C13H11F3N4O4 — CID 90816637

IUPAC[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate
SMILESCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1OC=O
InChIInChI=1S/C13H11F3N4O4/c1-20-6-10(19-12(20)23-7-21)18-11(22)17-8-2-4-9(5-3-8)24-13(14,15)16/h2-7H,1H3,(H2,17,18,22)
InChIKeyIRMKJEWZHWSEJU-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.50
Rot. Bonds5

About [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate

[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate (PubChem CID 90816637) has the molecular formula C13H11F3N4O4 and a molecular weight of 344.25 g/mol. Its IUPAC name is [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate.

Molecular Properties

Compound Name[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate
PubChem CID90816637
Molecular FormulaC13H11F3N4O4
Molecular Weight344.25 g/mol
Exact Mass344.07
IUPAC Name[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate
SMILESCn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1OC=O
InChIInChI=1S/C13H11F3N4O4/c1-20-6-10(19-12(20)23-7-21)18-11(22)17-8-2-4-9(5-3-8)24-13(14,15)16/h2-7H,1H3,(H2,17,18,22)
InChIKeyIRMKJEWZHWSEJU-UHFFFAOYSA-N
XLogP2.50
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-dichloroprop-2-enyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazole-2-carboxylic acid
CID 59421771
1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122356200
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
1-(3,3-dichloroprop-2-enyl)-N-(1-hydroxypropan-2-yl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazole-2-carboxamide
CID 59421830
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122284041
1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134284785
1-[4-(hydroxyamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155451100
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-[2-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-1-methylimidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 59763844
N-(2-chloroethyl)-1-(cyclopropylmethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazole-2-carboxamide
CID 59421757
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate?
The IUPAC name of [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate (CID 90816637) is [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate.
What is the SMILES notation for [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate?
The canonical SMILES for [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate is Cn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1OC=O.
What is the InChIKey of [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate?
The InChIKey is IRMKJEWZHWSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4/c1-20-6-10(19-12(20)23-7-21)18-11(22)17-8-2-4-9(5-3-8)24-13(14,15)16/h2-7H,1H3,(H2,17,18,22).
What are the key properties of [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate?
[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate has a molecular weight of 344.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate is sourced from PubChem (CID 90816637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).