1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine

C23H26F3N5 — CID 59059112

IUPAC1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C23H26F3N5/c1-16-21(30-22(29-16)18-4-6-19(7-5-18)23(24,25)26)15-31-11-8-20(9-12-31)28-14-17-3-2-10-27-13-17/h2-7,10,13,20,28H,8-9,11-12,14-15H2,1H3,(H,29,30)
InChIKeyOYCIULDYPHHKSO-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.55
Rot. Bonds6

About 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine

1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 59059112) has the molecular formula C23H26F3N5 and a molecular weight of 429.49 g/mol. Its IUPAC name is 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID59059112
Molecular FormulaC23H26F3N5
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C23H26F3N5/c1-16-21(30-22(29-16)18-4-6-19(7-5-18)23(24,25)26)15-31-11-8-20(9-12-31)28-14-17-3-2-10-27-13-17/h2-7,10,13,20,28H,8-9,11-12,14-15H2,1H3,(H,29,30)
InChIKeyOYCIULDYPHHKSO-UHFFFAOYSA-N
XLogP4.55
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 59059112) is 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine is Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2cccnc2)CC1.
What is the InChIKey of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is OYCIULDYPHHKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5/c1-16-21(30-22(29-16)18-4-6-19(7-5-18)23(24,25)26)15-31-11-8-20(9-12-31)28-14-17-3-2-10-27-13-17/h2-7,10,13,20,28H,8-9,11-12,14-15H2,1H3,(H,29,30).
What are the key properties of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine?
1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 429.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 59059112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).