1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole

C20H22F2N4 — CID 153290721

IUPAC1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
SMILESCc1cc2nc(N3CCNCC3)n(Cc3cc(F)cc(F)c3)c2cc1C
InChIInChI=1S/C20H22F2N4/c1-13-7-18-19(8-14(13)2)26(12-15-9-16(21)11-17(22)10-15)20(24-18)25-5-3-23-4-6-25/h7-11,23H,3-6,12H2,1-2H3
InChIKeyAKVUFHVZJXXOEP-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.39
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole

1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole (PubChem CID 153290721) has the molecular formula C20H22F2N4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
PubChem CID153290721
Molecular FormulaC20H22F2N4
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
SMILESCc1cc2nc(N3CCNCC3)n(Cc3cc(F)cc(F)c3)c2cc1C
InChIInChI=1S/C20H22F2N4/c1-13-7-18-19(8-14(13)2)26(12-15-9-16(21)11-17(22)10-15)20(24-18)25-5-3-23-4-6-25/h7-11,23H,3-6,12H2,1-2H3
InChIKeyAKVUFHVZJXXOEP-UHFFFAOYSA-N
XLogP3.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl]methanol
CID 153290555
1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine
CID 151812576
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 152508100
4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole
CID 157499658
(1R)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]prop-2-en-1-amine
CID 153290745
[1-[[3,5-bis(ethenyl)-4-fluorophenyl]methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl] 2,2,2-trifluoroacetate
CID 153290607
1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol
CID 148525617
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720421
1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 50996120
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole (CID 153290721) is 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole is Cc1cc2nc(N3CCNCC3)n(Cc3cc(F)cc(F)c3)c2cc1C.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
The InChIKey is AKVUFHVZJXXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4/c1-13-7-18-19(8-14(13)2)26(12-15-9-16(21)11-17(22)10-15)20(24-18)25-5-3-23-4-6-25/h7-11,23H,3-6,12H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole?
1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole has a molecular weight of 356.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 153290721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).