4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide

C16H17F3N4O2 — CID 46264374

IUPAC4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)NC(=O)c1nc[nH]c1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O2/c1-9(2)23-15(25)13-12(21-8-22-13)14(24)20-7-10-4-3-5-11(6-10)16(17,18)19/h3-6,8-9H,7H2,1-2H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyNUEXWUHOFZQWSE-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.50
Rot. Bonds5

About 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide

4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 46264374) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID46264374
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)NC(=O)c1nc[nH]c1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O2/c1-9(2)23-15(25)13-12(21-8-22-13)14(24)20-7-10-4-3-5-11(6-10)16(17,18)19/h3-6,8-9H,7H2,1-2H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyNUEXWUHOFZQWSE-UHFFFAOYSA-N
XLogP2.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide with MolForge

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Related Compounds

methyl (2S)-2-[[5-[[3-[[[4-[[(2S)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]-3-methylpentanoate
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Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide (CID 46264374) is 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide is CC(C)NC(=O)c1nc[nH]c1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is NUEXWUHOFZQWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9(2)23-15(25)13-12(21-8-22-13)14(24)20-7-10-4-3-5-11(6-10)16(17,18)19/h3-6,8-9H,7H2,1-2H3,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide?
4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46264374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).