1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one

C14H18F2N4O — CID 129050038

IUPAC1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one
SMILESCC(C)(C1Nc2cc(F)cc(F)c2N1)N1CCNCC1=O
InChIInChI=1S/C14H18F2N4O/c1-14(2,20-4-3-17-7-11(20)21)13-18-10-6-8(15)5-9(16)12(10)19-13/h5-6,13,17-19H,3-4,7H2,1-2H3
InChIKeyCHPPJKYHHPJDCX-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.34
Rot. Bonds2

About 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one

1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one (PubChem CID 129050038) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one
PubChem CID129050038
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one
SMILESCC(C)(C1Nc2cc(F)cc(F)c2N1)N1CCNCC1=O
InChIInChI=1S/C14H18F2N4O/c1-14(2,20-4-3-17-7-11(20)21)13-18-10-6-8(15)5-9(16)12(10)19-13/h5-6,13,17-19H,3-4,7H2,1-2H3
InChIKeyCHPPJKYHHPJDCX-UHFFFAOYSA-N
XLogP1.34
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one with MolForge

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Related Compounds

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1-(2,5-difluoro-4-methoxyphenyl)piperazin-2-one;hydrochloride
CID 67112367
1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722107
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540
(5S)-7,9-difluoro-5-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 130317442
4-ethyl-6,8-difluoro-1,3-dihydroquinoxalin-2-one
CID 115510094
5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115510148
1-(4-tert-butyl-2,6-difluorophenyl)piperazine
CID 164933901
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
CID 82292772
1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 105412044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one?
The IUPAC name of 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one (CID 129050038) is 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one.
What is the SMILES notation for 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one?
The canonical SMILES for 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one is CC(C)(C1Nc2cc(F)cc(F)c2N1)N1CCNCC1=O.
What is the InChIKey of 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one?
The InChIKey is CHPPJKYHHPJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-14(2,20-4-3-17-7-11(20)21)13-18-10-6-8(15)5-9(16)12(10)19-13/h5-6,13,17-19H,3-4,7H2,1-2H3.
What are the key properties of 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one?
1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one has a molecular weight of 296.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-difluoro-2,3-dihydro-1H-benzimidazol-2-yl)propan-2-yl]piperazin-2-one is sourced from PubChem (CID 129050038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).