(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide

C16H17N5O — CID 95148434

IUPAC(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)[C@@H](C)n2cnc3ccccc32)cn1
InChIInChI=1S/C16H17N5O/c1-11-7-18-13(8-17-11)9-19-16(22)12(2)21-10-20-14-5-3-4-6-15(14)21/h3-8,10,12H,9H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyMOIVOOKARQFPIA-GFCCVEGCSA-N
MW295.35 g/mol
LogP2.01
Rot. Bonds4

About (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide

(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide (PubChem CID 95148434) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
PubChem CID95148434
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)[C@@H](C)n2cnc3ccccc32)cn1
InChIInChI=1S/C16H17N5O/c1-11-7-18-13(8-17-11)9-19-16(22)12(2)21-10-20-14-5-3-4-6-15(14)21/h3-8,10,12H,9H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyMOIVOOKARQFPIA-GFCCVEGCSA-N
XLogP2.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
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(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
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2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
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N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
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2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
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2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
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(2S)-2-(benzimidazol-1-yl)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]propanamide
CID 99974414
(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide
CID 51941434
2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
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2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide (CID 95148434) is (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)[C@@H](C)n2cnc3ccccc32)cn1.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The InChIKey is MOIVOOKARQFPIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-7-18-13(8-17-11)9-19-16(22)12(2)21-10-20-14-5-3-4-6-15(14)21/h3-8,10,12H,9H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide has a molecular weight of 295.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 95148434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).