2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

C17H22N4 — CID 128979700

IUPAC2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1cc(CN2CCCC2c2nc3c([nH]2)CCCC3)ccn1
InChIInChI=1S/C17H22N4/c1-2-5-15-14(4-1)19-17(20-15)16-6-3-11-21(16)12-13-7-9-18-10-8-13/h7-10,16H,1-6,11-12H2,(H,19,20)
InChIKeyXCNBTERYMMITLM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds3

About 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 128979700) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID128979700
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1cc(CN2CCCC2c2nc3c([nH]2)CCCC3)ccn1
InChIInChI=1S/C17H22N4/c1-2-5-15-14(4-1)19-17(20-15)16-6-3-11-21(16)12-13-7-9-18-10-8-13/h7-10,16H,1-6,11-12H2,(H,19,20)
InChIKeyXCNBTERYMMITLM-UHFFFAOYSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 128979700) is 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is c1cc(CN2CCCC2c2nc3c([nH]2)CCCC3)ccn1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is XCNBTERYMMITLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-5-15-14(4-1)19-17(20-15)16-6-3-11-21(16)12-13-7-9-18-10-8-13/h7-10,16H,1-6,11-12H2,(H,19,20).
What are the key properties of 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 282.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 128979700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).