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

C16H16N4 — CID 17445816

IUPAC2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(N4CCCC4)nc3)nc2c1
InChIInChI=1S/C16H16N4/c1-2-6-14-13(5-1)18-16(19-14)12-7-8-15(17-11-12)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)
InChIKeyNMYMRRYELQPLMB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.23
Rot. Bonds2

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

2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole (PubChem CID 17445816) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
PubChem CID17445816
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(N4CCCC4)nc3)nc2c1
InChIInChI=1S/C16H16N4/c1-2-6-14-13(5-1)18-16(19-14)12-7-8-15(17-11-12)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)
InChIKeyNMYMRRYELQPLMB-UHFFFAOYSA-N
XLogP3.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole (CID 17445816) is 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(N4CCCC4)nc3)nc2c1.
What is the InChIKey of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is NMYMRRYELQPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-14-13(5-1)18-16(19-14)12-7-8-15(17-11-12)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10H2,(H,18,19).
What are the key properties of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole?
2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole has a molecular weight of 264.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 17445816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).