1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone

C22H25F2N5O — CID 59568051

IUPAC1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C(F)F)c2)CC1
InChIInChI=1S/C22H25F2N5O/c1-26(2)15-20(30)28-12-10-27(11-13-28)17-7-5-6-16(14-17)21-25-18-8-3-4-9-19(18)29(21)22(23)24/h3-9,14,22H,10-13,15H2,1-2H3
InChIKeyRIOHRBYUJAJJTF-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.31
Rot. Bonds5

About 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone

1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 59568051) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
PubChem CID59568051
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C(F)F)c2)CC1
InChIInChI=1S/C22H25F2N5O/c1-26(2)15-20(30)28-12-10-27(11-13-28)17-7-5-6-16(14-17)21-25-18-8-3-4-9-19(18)29(21)22(23)24/h3-9,14,22H,10-13,15H2,1-2H3
InChIKeyRIOHRBYUJAJJTF-UHFFFAOYSA-N
XLogP3.31
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one
CID 68671268
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-(dimethylamino)-1-[4-[3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]ethanone
CID 138515789
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59568242
2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
CID 59568379
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 71527009
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
1-methyl-2-[3-[4-(2-methylpropyl)piperazin-1-yl]phenyl]benzimidazole
CID 59568251
N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
CID 59568340

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone (CID 59568051) is 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=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-(dimethylamino)ethanone?
The InChIKey is RIOHRBYUJAJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-26(2)15-20(30)28-12-10-27(11-13-28)17-7-5-6-16(14-17)21-25-18-8-3-4-9-19(18)29(21)22(23)24/h3-9,14,22H,10-13,15H2,1-2H3.
What are the key properties of 1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 413.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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-(dimethylamino)ethanone is sourced from PubChem (CID 59568051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).