4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole

C19H22FN5 — CID 100683576

IUPAC4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole
SMILESC[C@@H](c1ccccn1)N1CCN(c2nc3c(F)cccc3n2C)CC1
InChIInChI=1S/C19H22FN5/c1-14(16-7-3-4-9-21-16)24-10-12-25(13-11-24)19-22-18-15(20)6-5-8-17(18)23(19)2/h3-9,14H,10-13H2,1-2H3/t14-/m0/s1
InChIKeyOZASNHGPLUESJJ-AWEZNQCLSA-N
MW339.42 g/mol
LogP2.99
Rot. Bonds3

About 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole

4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole (PubChem CID 100683576) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole
PubChem CID100683576
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole
SMILESC[C@@H](c1ccccn1)N1CCN(c2nc3c(F)cccc3n2C)CC1
InChIInChI=1S/C19H22FN5/c1-14(16-7-3-4-9-21-16)24-10-12-25(13-11-24)19-22-18-15(20)6-5-8-17(18)23(19)2/h3-9,14H,10-13H2,1-2H3/t14-/m0/s1
InChIKeyOZASNHGPLUESJJ-AWEZNQCLSA-N
XLogP2.99
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
CID 110452660
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
2-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-4-fluoro-1-methylbenzimidazole
CID 155962034
1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454927
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
CID 66202131
(3,5-difluoro-4-hydroxyphenyl)-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]methanone
CID 99701659
(3,5-difluoro-4-hydroxyphenyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86793671
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86793175
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236
2-(4-butoxypiperidin-1-yl)-4-fluoro-1-methylbenzimidazole
CID 155947479

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole?
The IUPAC name of 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole (CID 100683576) is 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole.
What is the SMILES notation for 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole?
The canonical SMILES for 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole is C[C@@H](c1ccccn1)N1CCN(c2nc3c(F)cccc3n2C)CC1.
What is the InChIKey of 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole?
The InChIKey is OZASNHGPLUESJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN5/c1-14(16-7-3-4-9-21-16)24-10-12-25(13-11-24)19-22-18-15(20)6-5-8-17(18)23(19)2/h3-9,14H,10-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole?
4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole has a molecular weight of 339.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole is sourced from PubChem (CID 100683576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).