N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide

C19H16F3N3O3 — CID 67429505

IUPACN-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
SMILESCOCNC(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1
InChIInChI=1S/C19H16F3N3O3/c1-27-12-24-18(26)16-10-25(11-23-16)14-6-4-5-13(9-14)15-7-2-3-8-17(15)28-19(20,21)22/h2-11H,12H2,1H3,(H,24,26)
InChIKeyAMQQHUWBEACIEQ-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.77
Rot. Bonds6

About N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide

N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 67429505) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
PubChem CID67429505
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
SMILESCOCNC(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1
InChIInChI=1S/C19H16F3N3O3/c1-27-12-24-18(26)16-10-25(11-23-16)14-6-4-5-13(9-14)15-7-2-3-8-17(15)28-19(20,21)22/h2-11H,12H2,1H3,(H,24,26)
InChIKeyAMQQHUWBEACIEQ-UHFFFAOYSA-N
XLogP3.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide (CID 67429505) is N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide is COCNC(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1.
What is the InChIKey of N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is AMQQHUWBEACIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-27-12-24-18(26)16-10-25(11-23-16)14-6-4-5-13(9-14)15-7-2-3-8-17(15)28-19(20,21)22/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 67429505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).