4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole

C23H26FN5 — CID 66741019

IUPAC4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole
SMILESFc1ccc2nc(-c3cccc4c3ncn4CCCCC3CCNCC3)[nH]c2c1
InChIInChI=1S/C23H26FN5/c24-17-7-8-19-20(14-17)28-23(27-19)18-5-3-6-21-22(18)26-15-29(21)13-2-1-4-16-9-11-25-12-10-16/h3,5-8,14-16,25H,1-2,4,9-13H2,(H,27,28)
InChIKeyJDSNOHDYLHICJB-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.89
Rot. Bonds6

About 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole

4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole (PubChem CID 66741019) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole.

Molecular Properties

Compound Name4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole
PubChem CID66741019
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole
SMILESFc1ccc2nc(-c3cccc4c3ncn4CCCCC3CCNCC3)[nH]c2c1
InChIInChI=1S/C23H26FN5/c24-17-7-8-19-20(14-17)28-23(27-19)18-5-3-6-21-22(18)26-15-29(21)13-2-1-4-16-9-11-25-12-10-16/h3,5-8,14-16,25H,1-2,4,9-13H2,(H,27,28)
InChIKeyJDSNOHDYLHICJB-UHFFFAOYSA-N
XLogP4.89
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-6-phenyl-1H-benzimidazole
CID 141392150
2-[3-chloro-1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-3H-benzimidazole-5-carboxylic acid
CID 68875766
2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole
CID 42640237
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84786764
2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136980082
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
CID 59208169
5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole
CID 42638420
2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
CID 123990300
5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine
CID 171483029

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole?
The IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole (CID 66741019) is 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole.
What is the SMILES notation for 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole?
The canonical SMILES for 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole is Fc1ccc2nc(-c3cccc4c3ncn4CCCCC3CCNCC3)[nH]c2c1.
What is the InChIKey of 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole?
The InChIKey is JDSNOHDYLHICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c24-17-7-8-19-20(14-17)28-23(27-19)18-5-3-6-21-22(18)26-15-29(21)13-2-1-4-16-9-11-25-12-10-16/h3,5-8,14-16,25H,1-2,4,9-13H2,(H,27,28).
What are the key properties of 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole?
4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole has a molecular weight of 391.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole is sourced from PubChem (CID 66741019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).