1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole

C18H24N6 — CID 131902621

IUPAC1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
SMILESCc1nncn1CCN1CCCC(c2nc3ccccc3n2C)C1
InChIInChI=1S/C18H24N6/c1-14-21-19-13-24(14)11-10-23-9-5-6-15(12-23)18-20-16-7-3-4-8-17(16)22(18)2/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3
InChIKeyNUELVEOVJJHIIS-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.35
Rot. Bonds4

About 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole

1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole (PubChem CID 131902621) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
PubChem CID131902621
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
SMILESCc1nncn1CCN1CCCC(c2nc3ccccc3n2C)C1
InChIInChI=1S/C18H24N6/c1-14-21-19-13-24(14)11-10-23-9-5-6-15(12-23)18-20-16-7-3-4-8-17(16)22(18)2/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3
InChIKeyNUELVEOVJJHIIS-UHFFFAOYSA-N
XLogP2.35
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine
CID 131922870
2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626653
2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 99928263
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 92626417
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole (CID 131902621) is 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole is Cc1nncn1CCN1CCCC(c2nc3ccccc3n2C)C1.
What is the InChIKey of 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole?
The InChIKey is NUELVEOVJJHIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-14-21-19-13-24(14)11-10-23-9-5-6-15(12-23)18-20-16-7-3-4-8-17(16)22(18)2/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3.
What are the key properties of 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole?
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole has a molecular weight of 324.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole is sourced from PubChem (CID 131902621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).