2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone

C19H21N5O — CID 166257160

IUPAC2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1cccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C19H21N5O/c1-22(13-19(25)23-11-4-5-12-23)17-9-6-10-18(21-17)24-14-20-15-7-2-3-8-16(15)24/h2-3,6-10,14H,4-5,11-13H2,1H3
InChIKeyNJJZWOISFWLWPL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.48
Rot. Bonds4

About 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone

2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 166257160) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID166257160
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1cccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C19H21N5O/c1-22(13-19(25)23-11-4-5-12-23)17-9-6-10-18(21-17)24-14-20-15-7-2-3-8-16(15)24/h2-3,6-10,14H,4-5,11-13H2,1H3
InChIKeyNJJZWOISFWLWPL-UHFFFAOYSA-N
XLogP2.48
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 138991186
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 154781024
[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone
CID 18332676
1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
CID 21020290
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone
CID 70248883
benzyl 4-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
CID 18332604

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone (CID 166257160) is 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1cccc(-n2cnc3ccccc32)n1.
What is the InChIKey of 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is NJJZWOISFWLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-22(13-19(25)23-11-4-5-12-23)17-9-6-10-18(21-17)24-14-20-15-7-2-3-8-16(15)24/h2-3,6-10,14H,4-5,11-13H2,1H3.
What are the key properties of 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 335.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 166257160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).