N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine

C24H25Cl2F3N4 — CID 59059192

IUPACN-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H25Cl2F3N4/c1-15-22(32-23(31-15)16-2-5-18(6-3-16)24(27,28)29)14-33-10-8-20(9-11-33)30-13-17-4-7-19(25)12-21(17)26/h2-7,12,20,30H,8-11,13-14H2,1H3,(H,31,32)
InChIKeyKXUQCIPDKAUCDF-UHFFFAOYSA-N
MW497.39 g/mol
LogP6.46
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine

N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine (PubChem CID 59059192) has the molecular formula C24H25Cl2F3N4 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine
PubChem CID59059192
Molecular FormulaC24H25Cl2F3N4
Molecular Weight497.39 g/mol
Exact Mass496.14
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H25Cl2F3N4/c1-15-22(32-23(31-15)16-2-5-18(6-3-16)24(27,28)29)14-33-10-8-20(9-11-33)30-13-17-4-7-19(25)12-21(17)26/h2-7,12,20,30H,8-11,13-14H2,1H3,(H,31,32)
InChIKeyKXUQCIPDKAUCDF-UHFFFAOYSA-N
XLogP6.46
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine (CID 59059192) is N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine is Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is KXUQCIPDKAUCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2F3N4/c1-15-22(32-23(31-15)16-2-5-18(6-3-16)24(27,28)29)14-33-10-8-20(9-11-33)30-13-17-4-7-19(25)12-21(17)26/h2-7,12,20,30H,8-11,13-14H2,1H3,(H,31,32).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 497.39 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 59059192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).