1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole

C19H23N5 — CID 124941136

IUPAC1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCc1cncc([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C19H23N5/c1-14-10-20-11-17(21-14)15-6-5-9-24(12-15)13-19-22-16-7-3-4-8-18(16)23(19)2/h3-4,7-8,10-11,15H,5-6,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyALACQZCNEFRFFJ-HNNXBMFYSA-N
MW321.43 g/mol
LogP3.05
Rot. Bonds3

About 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole

1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole (PubChem CID 124941136) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
PubChem CID124941136
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCc1cncc([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C19H23N5/c1-14-10-20-11-17(21-14)15-6-5-9-24(12-15)13-19-22-16-7-3-4-8-18(16)23(19)2/h3-4,7-8,10-11,15H,5-6,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyALACQZCNEFRFFJ-HNNXBMFYSA-N
XLogP3.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
2-methyl-6-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrazine
CID 110259175
1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
CID 124992897
2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole
CID 95813947
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125011127
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-methyl-6-[(3S)-1-phenylpiperidin-3-yl]pyrazine
CID 125020783

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole (CID 124941136) is 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole is Cc1cncc([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1.
What is the InChIKey of 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole?
The InChIKey is ALACQZCNEFRFFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-10-20-11-17(21-14)15-6-5-9-24(12-15)13-19-22-16-7-3-4-8-18(16)23(19)2/h3-4,7-8,10-11,15H,5-6,9,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole has a molecular weight of 321.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 124941136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).