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

C25H29F3N4 — CID 11408101

IUPACN-benzyl-3-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(NCc2ccccc2)C(C)C1
InChIInChI=1S/C25H29F3N4/c1-17-15-32(13-12-22(17)29-14-19-6-4-3-5-7-19)16-23-18(2)30-24(31-23)20-8-10-21(11-9-20)25(26,27)28/h3-11,17,22,29H,12-16H2,1-2H3,(H,30,31)
InChIKeyDBBYWRMQBRFXPN-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.40
Rot. Bonds6

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

N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine (PubChem CID 11408101) has the molecular formula C25H29F3N4 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine
PubChem CID11408101
Molecular FormulaC25H29F3N4
Molecular Weight442.53 g/mol
Exact Mass442.23
IUPAC NameN-benzyl-3-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(NCc2ccccc2)C(C)C1
InChIInChI=1S/C25H29F3N4/c1-17-15-32(13-12-22(17)29-14-19-6-4-3-5-7-19)16-23-18(2)30-24(31-23)20-8-10-21(11-9-20)25(26,27)28/h3-11,17,22,29H,12-16H2,1-2H3,(H,30,31)
InChIKeyDBBYWRMQBRFXPN-UHFFFAOYSA-N
XLogP5.40
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 59059121
4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine
CID 138510043
1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 59059112
N-methyl-N-[(3-methylphenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine
CID 142172999
3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-phenylthiourea
CID 10141050
N-[(2,4-dichlorophenyl)methyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine
CID 59059192
1-[(4-methylphenyl)methyl]-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-3-phenylurea
CID 59059109
1-benzyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea
CID 10303397
3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-[2-(trifluoromethyl)phenyl]urea
CID 10165739
ethylbenzene;4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine;N-[(2E,4Z)-octa-2,4-dien-6-yn-2-yl]acetamide
CID 142173124
4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine;2-methylprop-1-ene;1,2,4-trimethylbenzene
CID 145092976
1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea
CID 10182457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine (CID 11408101) is N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-benzyl-3-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(NCc2ccccc2)C(C)C1.
What is the InChIKey of N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is DBBYWRMQBRFXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4/c1-17-15-32(13-12-22(17)29-14-19-6-4-3-5-7-19)16-23-18(2)30-24(31-23)20-8-10-21(11-9-20)25(26,27)28/h3-11,17,22,29H,12-16H2,1-2H3,(H,30,31).
What are the key properties of N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine?
N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 442.53 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 11408101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).