6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine

C17H19N5 — CID 138991186

IUPAC6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCN(c1cccc(-n2cnc3ccccc32)n1)C1CCNC1
InChIInChI=1S/C17H19N5/c1-21(13-9-10-18-11-13)16-7-4-8-17(20-16)22-12-19-14-5-2-3-6-15(14)22/h2-8,12-13,18H,9-11H2,1H3
InChIKeyXUBWCSYIVXUJHM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.22
Rot. Bonds3

About 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine

6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 138991186) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID138991186
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCN(c1cccc(-n2cnc3ccccc32)n1)C1CCNC1
InChIInChI=1S/C17H19N5/c1-21(13-9-10-18-11-13)16-7-4-8-17(20-16)22-12-19-14-5-2-3-6-15(14)22/h2-8,12-13,18H,9-11H2,1H3
InChIKeyXUBWCSYIVXUJHM-UHFFFAOYSA-N
XLogP2.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine (CID 138991186) is 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine is CN(c1cccc(-n2cnc3ccccc32)n1)C1CCNC1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is XUBWCSYIVXUJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-21(13-9-10-18-11-13)16-7-4-8-17(20-16)22-12-19-14-5-2-3-6-15(14)22/h2-8,12-13,18H,9-11H2,1H3.
What are the key properties of 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 138991186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).