1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone

C17H17N5O — CID 141121788

IUPAC1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc2nc(-c3cnccn3)[nH]c2c1
InChIInChI=1S/C17H17N5O/c1-11(23)22-8-2-3-16(22)12-4-5-13-14(9-12)21-17(20-13)15-10-18-6-7-19-15/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21)
InChIKeyZCANGDRZNKGCOP-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.70
Rot. Bonds2

About 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone

1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 141121788) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID141121788
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccc2nc(-c3cnccn3)[nH]c2c1
InChIInChI=1S/C17H17N5O/c1-11(23)22-8-2-3-16(22)12-4-5-13-14(9-12)21-17(20-13)15-10-18-6-7-19-15/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21)
InChIKeyZCANGDRZNKGCOP-UHFFFAOYSA-N
XLogP2.70
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145202
1-[2-[2-(5-methyl-1H-pyrazol-3-yl)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110102001
1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 86883484
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145233
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
CID 44815983
1-[2-[2-pyridin-2-yl-6-[4-(pyrrolidine-1-carbonyl)phenoxy]-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145126
6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
CID 113398072
1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145517
2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
CID 166721441

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone (CID 141121788) is 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ccc2nc(-c3cnccn3)[nH]c2c1.
What is the InChIKey of 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZCANGDRZNKGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11(23)22-8-2-3-16(22)12-4-5-13-14(9-12)21-17(20-13)15-10-18-6-7-19-15/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone?
1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 307.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 141121788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).