5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide

C19H16F4N6O2 — CID 11532179

IUPAC5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(N)n1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C19H16F4N6O2/c1-9-26-15(17(25)30)16(24)29(9)12-5-3-11(4-6-12)27-18(31)28-14-8-10(19(21,22)23)2-7-13(14)20/h2-8H,24H2,1H3,(H2,25,30)(H2,27,28,31)
InChIKeyPDLDJUUGTXZNPH-UHFFFAOYSA-N
MW436.37 g/mol
LogP3.66
Rot. Bonds4

About 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide

5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide (PubChem CID 11532179) has the molecular formula C19H16F4N6O2 and a molecular weight of 436.37 g/mol. Its IUPAC name is 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide
PubChem CID11532179
Molecular FormulaC19H16F4N6O2
Molecular Weight436.37 g/mol
Exact Mass436.13
IUPAC Name5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(N)n1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C19H16F4N6O2/c1-9-26-15(17(25)30)16(24)29(9)12-5-3-11(4-6-12)27-18(31)28-14-8-10(19(21,22)23)2-7-13(14)20/h2-8H,24H2,1H3,(H2,25,30)(H2,27,28,31)
InChIKeyPDLDJUUGTXZNPH-UHFFFAOYSA-N
XLogP3.66
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide 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

ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
1-[4-(4-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 163619460
(Z)-3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enamide
CID 78427114
3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enamide
CID 123142884
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11690518
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 166169667
5-amino-1-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]imidazole-4-carboxamide
CID 11590915
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]urea
CID 162395682
1-[4-[(4-chloro-2-methylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11605360
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]urea
CID 11547086

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide (CID 11532179) is 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide is Cc1nc(C(N)=O)c(N)n1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1.
What is the InChIKey of 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide?
The InChIKey is PDLDJUUGTXZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N6O2/c1-9-26-15(17(25)30)16(24)29(9)12-5-3-11(4-6-12)27-18(31)28-14-8-10(19(21,22)23)2-7-13(14)20/h2-8H,24H2,1H3,(H2,25,30)(H2,27,28,31).
What are the key properties of 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide?
5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide has a molecular weight of 436.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 11532179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).