2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide

C18H12Cl2F3N3O — CID 10001816

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C18H12Cl2F3N3O/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(26-16)17(27)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,24,26)(H,25,27)
InChIKeyLPWHNQWZGPEIHM-UHFFFAOYSA-N
MW414.21 g/mol
LogP5.58
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 10001816) has the molecular formula C18H12Cl2F3N3O and a molecular weight of 414.21 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
PubChem CID10001816
Molecular FormulaC18H12Cl2F3N3O
Molecular Weight414.21 g/mol
Exact Mass413.03
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C18H12Cl2F3N3O/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(26-16)17(27)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,24,26)(H,25,27)
InChIKeyLPWHNQWZGPEIHM-UHFFFAOYSA-N
XLogP5.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.21
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide (CID 10001816) is 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is LPWHNQWZGPEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(26-16)17(27)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,24,26)(H,25,27).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 414.21 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 10001816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).