1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole

C17H19N5 — CID 124943222

IUPAC1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCC[C@@H]2c2cnccn2)nc2ccccc21
InChIInChI=1S/C17H19N5/c1-21-15-6-3-2-5-13(15)20-17(21)12-22-10-4-7-16(22)14-11-18-8-9-19-14/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3/t16-/m1/s1
InChIKeyBAYYIEZLGPVXFX-MRXNPFEDSA-N
MW293.37 g/mol
LogP2.70
Rot. Bonds3

About 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole

1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole (PubChem CID 124943222) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
PubChem CID124943222
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCC[C@@H]2c2cnccn2)nc2ccccc21
InChIInChI=1S/C17H19N5/c1-21-15-6-3-2-5-13(15)20-17(21)12-22-10-4-7-16(22)14-11-18-8-9-19-14/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3/t16-/m1/s1
InChIKeyBAYYIEZLGPVXFX-MRXNPFEDSA-N
XLogP2.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
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2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
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1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
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1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
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1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
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2-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
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2-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 124944246
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 102222312
1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole
CID 95630599
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole (CID 124943222) is 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole is Cn1c(CN2CCC[C@@H]2c2cnccn2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole?
The InChIKey is BAYYIEZLGPVXFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N5/c1-21-15-6-3-2-5-13(15)20-17(21)12-22-10-4-7-16(22)14-11-18-8-9-19-14/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3/t16-/m1/s1.
What are the key properties of 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole has a molecular weight of 293.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 124943222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).