2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline

C26H23FN6 — CID 134126847

IUPAC2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline
SMILESFc1ccc(Cn2c(-c3cnc4ccccc4n3)nc3ccc(N4CCNCC4)cc32)cc1
InChIInChI=1S/C26H23FN6/c27-19-7-5-18(6-8-19)17-33-25-15-20(32-13-11-28-12-14-32)9-10-23(25)31-26(33)24-16-29-21-3-1-2-4-22(21)30-24/h1-10,15-16,28H,11-14,17H2
InChIKeyMELWJOILEGJFCE-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.24
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline

2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline (PubChem CID 134126847) has the molecular formula C26H23FN6 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline
PubChem CID134126847
Molecular FormulaC26H23FN6
Molecular Weight438.51 g/mol
Exact Mass438.20
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline
SMILESFc1ccc(Cn2c(-c3cnc4ccccc4n3)nc3ccc(N4CCNCC4)cc32)cc1
InChIInChI=1S/C26H23FN6/c27-19-7-5-18(6-8-19)17-33-25-15-20(32-13-11-28-12-14-32)9-10-23(25)31-26(33)24-16-29-21-3-1-2-4-22(21)30-24/h1-10,15-16,28H,11-14,17H2
InChIKeyMELWJOILEGJFCE-UHFFFAOYSA-N
XLogP4.24
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone
CID 134126856
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 174498519
7-fluoro-2-(1-methylbenzimidazol-2-yl)quinoxaline
CID 24796734
6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine
CID 161457946
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
CID 134126886
1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720421
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol
CID 18319925

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline (CID 134126847) is 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline is Fc1ccc(Cn2c(-c3cnc4ccccc4n3)nc3ccc(N4CCNCC4)cc32)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline?
The InChIKey is MELWJOILEGJFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6/c27-19-7-5-18(6-8-19)17-33-25-15-20(32-13-11-28-12-14-32)9-10-23(25)31-26(33)24-16-29-21-3-1-2-4-22(21)30-24/h1-10,15-16,28H,11-14,17H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline?
2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline has a molecular weight of 438.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline is sourced from PubChem (CID 134126847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).