[5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine

C36H28F10N6 — CID 161397429

IUPAC[5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(F)cc2F)ncn1Cc1cccc(C(F)(F)F)c1.NCc1c(-c2ccc(F)cc2F)ncn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C18H14F5N3/c2*19-13-4-5-14(15(20)7-13)17-16(8-24)26(10-25-17)9-11-2-1-3-12(6-11)18(21,22)23/h2*1-7,10H,8-9,24H2
InChIKeyVTUCRUCSVDXMNR-UHFFFAOYSA-N
MW734.64 g/mol
LogP8.71
Rot. Bonds8

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

[5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine (PubChem CID 161397429) has the molecular formula C36H28F10N6 and a molecular weight of 734.64 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine
PubChem CID161397429
Molecular FormulaC36H28F10N6
Molecular Weight734.64 g/mol
Exact Mass734.22
IUPAC Name[5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(F)cc2F)ncn1Cc1cccc(C(F)(F)F)c1.NCc1c(-c2ccc(F)cc2F)ncn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C18H14F5N3/c2*19-13-4-5-14(15(20)7-13)17-16(8-24)26(10-25-17)9-11-2-1-3-12(6-11)18(21,22)23/h2*1-7,10H,8-9,24H2
InChIKeyVTUCRUCSVDXMNR-UHFFFAOYSA-N
XLogP8.71
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.64
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine
CID 58990914
[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 24764611
[5-(2-chloro-4-fluorophenyl)-3-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]methanamine
CID 24764516
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586843
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
3-(4-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 7159391
5-bromo-3-[(3-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-one
CID 21089590
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 90149446
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine (CID 161397429) is [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine is NCc1c(-c2ccc(F)cc2F)ncn1Cc1cccc(C(F)(F)F)c1.NCc1c(-c2ccc(F)cc2F)ncn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine?
The InChIKey is VTUCRUCSVDXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14F5N3/c2*19-13-4-5-14(15(20)7-13)17-16(8-24)26(10-25-17)9-11-2-1-3-12(6-11)18(21,22)23/h2*1-7,10H,8-9,24H2.
What are the key properties of [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine?
[5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine has a molecular weight of 734.64 g/mol, XLogP of 8.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 161397429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).