[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone

C22H22F2N4O — CID 78832010

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C22H22F2N4O/c23-22(24)28-11-10-25-20(28)16-26-12-14-27(15-13-26)21(29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,22H,12-16H2
InChIKeyVNLQBFXDOURMPM-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.90
Rot. Bonds5

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 78832010) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID78832010
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C22H22F2N4O/c23-22(24)28-11-10-25-20(28)16-26-12-14-27(15-13-26)21(29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,22H,12-16H2
InChIKeyVNLQBFXDOURMPM-UHFFFAOYSA-N
XLogP3.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine-1-carbonyl]phenyl]acetamide
CID 78832007
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
3-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119868000
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)methanone
CID 78832003
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064
2-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119867986
4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 78847721
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione
CID 112806100
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
(1-aminocyclopentyl)-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868002
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 71900678

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone (CID 78832010) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is VNLQBFXDOURMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c23-22(24)28-11-10-25-20(28)16-26-12-14-27(15-13-26)21(29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,22H,12-16H2.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 396.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 78832010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).