N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C19H16F3N3O2 — CID 51361122

IUPACN-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)18-24-15(13-4-2-1-3-5-13)16(25-18)17(27)23-11-10-12-6-8-14(26)9-7-12/h1-9,26H,10-11H2,(H,23,27)(H,24,25)
InChIKeyNEAQSNRRIGFYGJ-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361122) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361122
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)18-24-15(13-4-2-1-3-5-13)16(25-18)17(27)23-11-10-12-6-8-14(26)9-7-12/h1-9,26H,10-11H2,(H,23,27)(H,24,25)
InChIKeyNEAQSNRRIGFYGJ-UHFFFAOYSA-N
XLogP3.77
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361122) is N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is O=C(NCCc1ccc(O)cc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is NEAQSNRRIGFYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)18-24-15(13-4-2-1-3-5-13)16(25-18)17(27)23-11-10-12-6-8-14(26)9-7-12/h1-9,26H,10-11H2,(H,23,27)(H,24,25).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).