N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide

C18H16ClF4N5O2 — CID 171477839

About N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide (PubChem CID 171477839) has the molecular formula C18H16ClF4N5O2 and a molecular weight of 445.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide
• PubChem CID: 171477839
• Molecular Formula: C18H16ClF4N5O2
• Molecular Weight: 445.80 g/mol
• Exact Mass: 445.09
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)cc(N2C(NO)=NCC2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
• InChI: InChI=1S/C18H16ClF4N5O2/c1-9-5-10(18(21,22)23)6-15(25-9)28-14(8-24-17(28)26-30)16(29)27(2)11-3-4-13(20)12(19)7-11/h3-7,14,30H,8H2,1-2H3,(H,24,26)
• InChIKey: UYHUHDIJHJHHBZ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 81.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.80
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide (CID 171477839) is N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(NO)=NCC2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide?

The InChIKey is UYHUHDIJHJHHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N5O2/c1-9-5-10(18(21,22)23)6-15(25-9)28-14(8-24-17(28)26-30)16(29)27(2)11-3-4-13(20)12(19)7-11/h3-7,14,30H,8H2,1-2H3,(H,24,26).

What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide?

N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide has a molecular weight of 445.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 171477839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).