N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide

C24H26F3N3O2 — CID 46102853

IUPACN-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C24H26F3N3O2/c1-16(2)10-11-17(3)29-23(31)22-14-28-15-30(22)20-8-4-6-18(12-20)19-7-5-9-21(13-19)32-24(25,26)27/h4-9,12-17H,10-11H2,1-3H3,(H,29,31)
InChIKeyOIWFUOZVQGJGOS-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.99
Rot. Bonds8

About N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide

N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 46102853) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
PubChem CID46102853
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C24H26F3N3O2/c1-16(2)10-11-17(3)29-23(31)22-14-28-15-30(22)20-8-4-6-18(12-20)19-7-5-9-21(13-19)32-24(25,26)27/h4-9,12-17H,10-11H2,1-3H3,(H,29,31)
InChIKeyOIWFUOZVQGJGOS-UHFFFAOYSA-N
XLogP5.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102829
N-butyl-N-ethyl-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46081319
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762305
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
CID 46101308
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
N-(1-methoxybutan-2-yl)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081579
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46102860
3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103109
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103105
N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92769989
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide (CID 46102853) is N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide is CC(C)CCC(C)NC(=O)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is OIWFUOZVQGJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-16(2)10-11-17(3)29-23(31)22-14-28-15-30(22)20-8-4-6-18(12-20)19-7-5-9-21(13-19)32-24(25,26)27/h4-9,12-17H,10-11H2,1-3H3,(H,29,31).
What are the key properties of N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide?
N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46102853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).