4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide

C12H10F3N5O2 — CID 161327614

IUPAC4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)6-1-3-7(4-2-6)19-11(22)20-10-8(9(16)21)17-5-18-10/h1-5H,(H2,16,21)(H,17,18)(H2,19,20,22)
InChIKeyVKZBQXKPOMMQAN-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.17
Rot. Bonds3

About 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide

4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide (PubChem CID 161327614) has the molecular formula C12H10F3N5O2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
PubChem CID161327614
Molecular FormulaC12H10F3N5O2
Molecular Weight313.24 g/mol
Exact Mass313.08
IUPAC Name4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)6-1-3-7(4-2-6)19-11(22)20-10-8(9(16)21)17-5-18-10/h1-5H,(H2,16,21)(H,17,18)(H2,19,20,22)
InChIKeyVKZBQXKPOMMQAN-UHFFFAOYSA-N
XLogP2.17
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
4-benzamido-1H-imidazole-5-carboxamide
CID 13223230
3-[5-carbamoyl-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrol-3-yl]propanoic acid
CID 67213483
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
1-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)phenyl]urea
CID 115712424
2-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
CID 59508437
1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
CID 108909328
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide (CID 161327614) is 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]cnc1NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
The InChIKey is VKZBQXKPOMMQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2/c13-12(14,15)6-1-3-7(4-2-6)19-11(22)20-10-8(9(16)21)17-5-18-10/h1-5H,(H2,16,21)(H,17,18)(H2,19,20,22).
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide?
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 161327614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).