6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole

C16H15FN4 — CID 130271324

IUPAC6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1
InChIInChI=1S/C16H15FN4/c17-12-4-5-13-14(9-12)20-16(19-13)11-3-6-15(18-10-11)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,19,20)
InChIKeyAZROXZKRHRBEEJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.36
Rot. Bonds2

About 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole

6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole (PubChem CID 130271324) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
PubChem CID130271324
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
SMILESFc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1
InChIInChI=1S/C16H15FN4/c17-12-4-5-13-14(9-12)20-16(19-13)11-3-6-15(18-10-11)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,19,20)
InChIKeyAZROXZKRHRBEEJ-UHFFFAOYSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole (CID 130271324) is 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole is Fc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is AZROXZKRHRBEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-12-4-5-13-14(9-12)20-16(19-13)11-3-6-15(18-10-11)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,19,20).
What are the key properties of 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole has a molecular weight of 282.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 130271324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).