1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one

C22H24F2N4O — CID 68671268

IUPAC1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C(F)F)c2)CC1
InChIInChI=1S/C22H24F2N4O/c1-15(2)21(29)27-12-10-26(11-13-27)17-7-5-6-16(14-17)20-25-18-8-3-4-9-19(18)28(20)22(23)24/h3-9,14-15,22H,10-13H2,1-2H3
InChIKeyIYHFRHJZUUENDZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.40
Rot. Bonds4

About 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 68671268) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID68671268
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C(F)F)c2)CC1
InChIInChI=1S/C22H24F2N4O/c1-15(2)21(29)27-12-10-26(11-13-27)17-7-5-6-16(14-17)20-25-18-8-3-4-9-19(18)28(20)22(23)24/h3-9,14-15,22H,10-13H2,1-2H3
InChIKeyIYHFRHJZUUENDZ-UHFFFAOYSA-N
XLogP4.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
CID 59568379
1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 59568051
tert-butyl N-[2-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 59568168
1-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine;formic acid
CID 161256916
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59568242
1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
CID 92864964
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
[4-[3-(1-methylbenzimidazol-2-yl)phenyl]-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 59568257
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
1-[(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
CID 92864956

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one (CID 68671268) is 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C(F)F)c2)CC1.
What is the InChIKey of 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is IYHFRHJZUUENDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-15(2)21(29)27-12-10-26(11-13-27)17-7-5-6-16(14-17)20-25-18-8-3-4-9-19(18)28(20)22(23)24/h3-9,14-15,22H,10-13H2,1-2H3.
What are the key properties of 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 398.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 68671268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).