1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole

C17H18FN5 — CID 22285131

IUPAC1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
SMILESFc1cccnc1N1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C17H18FN5/c18-14-4-3-7-19-17(14)22-10-8-21(9-11-22)13-23-12-20-15-5-1-2-6-16(15)23/h1-7,12H,8-11,13H2
InChIKeyJSKVXHUWZYYUHJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.35
Rot. Bonds3

About 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole

1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole (PubChem CID 22285131) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
PubChem CID22285131
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
SMILESFc1cccnc1N1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C17H18FN5/c18-14-4-3-7-19-17(14)22-10-8-21(9-11-22)13-23-12-20-15-5-1-2-6-16(15)23/h1-7,12H,8-11,13H2
InChIKeyJSKVXHUWZYYUHJ-UHFFFAOYSA-N
XLogP2.35
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole (CID 22285131) is 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole is Fc1cccnc1N1CCN(Cn2cnc3ccccc32)CC1.
What is the InChIKey of 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole?
The InChIKey is JSKVXHUWZYYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c18-14-4-3-7-19-17(14)22-10-8-21(9-11-22)13-23-12-20-15-5-1-2-6-16(15)23/h1-7,12H,8-11,13H2.
What are the key properties of 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole?
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole has a molecular weight of 311.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 22285131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).