6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole

C16H16N4 — CID 67062568

IUPAC6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESc1cc(-c2ccc3nc(C4CCCN4)[nH]c3c2)ccn1
InChIInChI=1S/C16H16N4/c1-2-14(18-7-1)16-19-13-4-3-12(10-15(13)20-16)11-5-8-17-9-6-11/h3-6,8-10,14,18H,1-2,7H2,(H,19,20)
InChIKeyZXQPCVLSKAFOGW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.05
Rot. Bonds2

About 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole

6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole (PubChem CID 67062568) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
PubChem CID67062568
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESc1cc(-c2ccc3nc(C4CCCN4)[nH]c3c2)ccn1
InChIInChI=1S/C16H16N4/c1-2-14(18-7-1)16-19-13-4-3-12(10-15(13)20-16)11-5-8-17-9-6-11/h3-6,8-10,14,18H,1-2,7H2,(H,19,20)
InChIKeyZXQPCVLSKAFOGW-UHFFFAOYSA-N
XLogP3.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
The IUPAC name of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole (CID 67062568) is 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
The canonical SMILES for 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole is c1cc(-c2ccc3nc(C4CCCN4)[nH]c3c2)ccn1.
What is the InChIKey of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
The InChIKey is ZXQPCVLSKAFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-14(18-7-1)16-19-13-4-3-12(10-15(13)20-16)11-5-8-17-9-6-11/h3-6,8-10,14,18H,1-2,7H2,(H,19,20).
What are the key properties of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole has a molecular weight of 264.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole is sourced from PubChem (CID 67062568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).