6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline

C23H24FN5 — CID 42165389

IUPAC6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline
SMILESCCc1nc2cc(F)ccc2n1C1CCN(Cc2ccc3nccnc3c2)CC1
InChIInChI=1S/C23H24FN5/c1-2-23-27-21-14-17(24)4-6-22(21)29(23)18-7-11-28(12-8-18)15-16-3-5-19-20(13-16)26-10-9-25-19/h3-6,9-10,13-14,18H,2,7-8,11-12,15H2,1H3
InChIKeyHIQSTHFNBRYWNA-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.52
Rot. Bonds4

About 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline

6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline (PubChem CID 42165389) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline
PubChem CID42165389
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC Name6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline
SMILESCCc1nc2cc(F)ccc2n1C1CCN(Cc2ccc3nccnc3c2)CC1
InChIInChI=1S/C23H24FN5/c1-2-23-27-21-14-17(24)4-6-22(21)29(23)18-7-11-28(12-8-18)15-16-3-5-19-20(13-16)26-10-9-25-19/h3-6,9-10,13-14,18H,2,7-8,11-12,15H2,1H3
InChIKeyHIQSTHFNBRYWNA-UHFFFAOYSA-N
XLogP4.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methanone
CID 21050139
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
6-[[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]quinoxaline
CID 26400784
5-fluoro-2-methylsulfanyl-1-[1-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-4-yl]benzimidazole
CID 21050412
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
CID 59360903
N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 60836872
N-[3-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propyl]-4-fluoroaniline
CID 58599524
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole
CID 142149514
N-[4-[[4-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]-methylboronamidic acid
CID 21050283

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline?
The IUPAC name of 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline (CID 42165389) is 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline?
The canonical SMILES for 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline is CCc1nc2cc(F)ccc2n1C1CCN(Cc2ccc3nccnc3c2)CC1.
What is the InChIKey of 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline?
The InChIKey is HIQSTHFNBRYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-2-23-27-21-14-17(24)4-6-22(21)29(23)18-7-11-28(12-8-18)15-16-3-5-19-20(13-16)26-10-9-25-19/h3-6,9-10,13-14,18H,2,7-8,11-12,15H2,1H3.
What are the key properties of 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline?
6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline has a molecular weight of 389.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 42165389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).