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

C19H16F3N3O2 — CID 51361101

IUPACN-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H16F3N3O2/c1-27-14-9-7-12(8-10-14)11-23-17(26)16-15(13-5-3-2-4-6-13)24-18(25-16)19(20,21)22/h2-10H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyNMECHXQPJBRVPU-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.03
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361101) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361101
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H16F3N3O2/c1-27-14-9-7-12(8-10-14)11-23-17(26)16-15(13-5-3-2-4-6-13)24-18(25-16)19(20,21)22/h2-10H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyNMECHXQPJBRVPU-UHFFFAOYSA-N
XLogP4.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361101) is N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is COc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is NMECHXQPJBRVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-27-14-9-7-12(8-10-14)11-23-17(26)16-15(13-5-3-2-4-6-13)24-18(25-16)19(20,21)22/h2-10H,11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).