[5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine

C18H14Cl2F3N3O — CID 24764887

IUPAC[5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H14Cl2F3N3O/c19-12-5-6-13(14(20)7-12)17-15(8-24)26(10-25-17)9-11-3-1-2-4-16(11)27-18(21,22)23/h1-7,10H,8-9,24H2
InChIKeyRWUUPNCIUVUZHS-UHFFFAOYSA-N
MW416.23 g/mol
LogP5.26
Rot. Bonds5

About [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine

[5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine (PubChem CID 24764887) has the molecular formula C18H14Cl2F3N3O and a molecular weight of 416.23 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine
PubChem CID24764887
Molecular FormulaC18H14Cl2F3N3O
Molecular Weight416.23 g/mol
Exact Mass415.05
IUPAC Name[5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H14Cl2F3N3O/c19-12-5-6-13(14(20)7-12)17-15(8-24)26(10-25-17)9-11-3-1-2-4-16(11)27-18(21,22)23/h1-7,10H,8-9,24H2
InChIKeyRWUUPNCIUVUZHS-UHFFFAOYSA-N
XLogP5.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.23
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(2,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11611325
(2-(2-Methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11655271
(5-(2,6-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11711314
3-[(2,6-dichlorophenyl)methyl]-8-(2-methoxyphenyl)-7H-purin-6-imine
CID 155229643
5-(4-Chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-1H-imidazol-2-amine
CID 4025075
5-butyl-4-(4-chlorophenyl)-1-(2-methoxyphenethyl)-1H-imidazole
CID 53300700
N-(2-chlorobenzyl)-5-(3-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 4669028
1-[(E)-(4-chlorophenyl)methylideneamino]-4-(2-methoxyphenyl)imidazol-2-amine
CID 21055053
4-(4-chlorophenyl)-1-(2-methoxyphenethyl)-5-propyl-1H-imidazole
CID 53300713
4-(3-chlorophenyl)-1-(2-methoxyphenethyl)-5-propyl-1H-imidazole
CID 53300714
5-butyl-1-(4-chlorobenzyl)-4-(2-methoxyphenyl)-1H-imidazole
CID 53300724
5-butyl-4-(3-chlorophenyl)-1-(2-methoxyphenethyl)-1H-imidazole
CID 53300725

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine (CID 24764887) is [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccccc1OC(F)(F)F.
What is the InChIKey of [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine?
The InChIKey is RWUUPNCIUVUZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O/c19-12-5-6-13(14(20)7-12)17-15(8-24)26(10-25-17)9-11-3-1-2-4-16(11)27-18(21,22)23/h1-7,10H,8-9,24H2.
What are the key properties of [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine?
[5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine has a molecular weight of 416.23 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 24764887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).