N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide

C24H24F3N3O2 — CID 66682353

IUPACN-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)c1)C1CCCCC1
InChIInChI=1S/C24H24F3N3O2/c1-29(20-10-3-2-4-11-20)23(31)30-15-22(28-16-30)19-9-5-7-17(13-19)18-8-6-12-21(14-18)32-24(25,26)27/h5-9,12-16,20H,2-4,10-11H2,1H3
InChIKeyVSRKPWGXOUAIKK-UHFFFAOYSA-N
MW443.47 g/mol
LogP6.35
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide

N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide (PubChem CID 66682353) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide
PubChem CID66682353
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC NameN-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)c1)C1CCCCC1
InChIInChI=1S/C24H24F3N3O2/c1-29(20-10-3-2-4-11-20)23(31)30-15-22(28-16-30)19-9-5-7-17(13-19)18-8-6-12-21(14-18)32-24(25,26)27/h5-9,12-16,20H,2-4,10-11H2,1H3
InChIKeyVSRKPWGXOUAIKK-UHFFFAOYSA-N
XLogP6.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
CID 162396657
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
N-[[4-cyano-2-(3-ethoxyphenyl)phenyl]methyl]-N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]acetamide
CID 44394915
12-Benzyl-4-(3-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11036467
6-(4-fluoro-phenyl)-2-m-tolyloxymethyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 66551175
Brd4 D1-IN-1
CID 163196283
Brd4 D1-IN-2
CID 163196284
2-[(3S)-3-[5-[2-(3-ethyl-5-methylphenoxy)pyrimidin-4-yl]-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 166119758
2-(3-Ethyl-5-methylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine
CID 166119760

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide (CID 66682353) is N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide is CN(C(=O)n1cnc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide?
The InChIKey is VSRKPWGXOUAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-29(20-10-3-2-4-11-20)23(31)30-15-22(28-16-30)19-9-5-7-17(13-19)18-8-6-12-21(14-18)32-24(25,26)27/h5-9,12-16,20H,2-4,10-11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide?
N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 66682353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).