naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone

C27H25F3N4O — CID 67612211

IUPACnaphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(Cc2cncn2Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C27H25F3N4O/c28-27(29,30)22-10-8-20(9-11-22)17-34-19-31-16-23(34)18-32-12-14-33(15-13-32)26(35)25-7-3-5-21-4-1-2-6-24(21)25/h1-11,16,19H,12-15,17-18H2
InChIKeyNIBALKMSXJVIIW-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.06
Rot. Bonds5

About naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone

naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 67612211) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID67612211
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Namenaphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(Cc2cncn2Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C27H25F3N4O/c28-27(29,30)22-10-8-20(9-11-22)17-34-19-31-16-23(34)18-32-12-14-33(15-13-32)26(35)25-7-3-5-21-4-1-2-6-24(21)25/h1-11,16,19H,12-15,17-18H2
InChIKeyNIBALKMSXJVIIW-UHFFFAOYSA-N
XLogP5.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-[[4-(5-prop-1-ynylnaphthalene-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile;dihydrochloride
CID 70181137
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 15390963
quinolin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 78829355
naphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778582
(2-methylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31314923
[1-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 22891988
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
[2-(difluoromethoxy)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 78840337
[3-butyl-4-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 57161066
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78844795
[4-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579254
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone (CID 67612211) is naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone is O=C(c1cccc2ccccc12)N1CCN(Cc2cncn2Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is NIBALKMSXJVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c28-27(29,30)22-10-8-20(9-11-22)17-34-19-31-16-23(34)18-32-12-14-33(15-13-32)26(35)25-7-3-5-21-4-1-2-6-24(21)25/h1-11,16,19H,12-15,17-18H2.
What are the key properties of naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone?
naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 478.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[4-[[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 67612211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).