N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide

C16H16F3N3O2 — CID 155952612

IUPACN-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)[nH]c1=O
InChIInChI=1S/C16H16F3N3O2/c1-21-9-13(20-15(21)24)14(23)22(11-6-7-11)8-10-4-2-3-5-12(10)16(17,18)19/h2-5,9,11H,6-8H2,1H3,(H,20,24)
InChIKeyJWDVIWZBEKCXAP-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.54
Rot. Bonds4

About N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide

N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 155952612) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide
PubChem CID155952612
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)[nH]c1=O
InChIInChI=1S/C16H16F3N3O2/c1-21-9-13(20-15(21)24)14(23)22(11-6-7-11)8-10-4-2-3-5-12(10)16(17,18)19/h2-5,9,11H,6-8H2,1H3,(H,20,24)
InChIKeyJWDVIWZBEKCXAP-UHFFFAOYSA-N
XLogP2.54
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide (CID 155952612) is N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide is Cn1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)[nH]c1=O.
What is the InChIKey of N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is JWDVIWZBEKCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-21-9-13(20-15(21)24)14(23)22(11-6-7-11)8-10-4-2-3-5-12(10)16(17,18)19/h2-5,9,11H,6-8H2,1H3,(H,20,24).
What are the key properties of N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155952612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).