N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C18H13F4N3O — CID 51361099

IUPACN-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C18H13F4N3O/c19-13-8-4-5-11(9-13)10-23-16(26)15-14(12-6-2-1-3-7-12)24-17(25-15)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeyAYVQACXIJQHRBX-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.16
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361099) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361099
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC NameN-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C18H13F4N3O/c19-13-8-4-5-11(9-13)10-23-16(26)15-14(12-6-2-1-3-7-12)24-17(25-15)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeyAYVQACXIJQHRBX-UHFFFAOYSA-N
XLogP4.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361099) is N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is O=C(NCc1cccc(F)c1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is AYVQACXIJQHRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-13-8-4-5-11(9-13)10-23-16(26)15-14(12-6-2-1-3-7-12)24-17(25-15)18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).