2,5-dimethyl-1-piperidin-3-ylbenzimidazole

C14H19N3 — CID 84793055

IUPAC2,5-dimethyl-1-piperidin-3-ylbenzimidazole
SMILESCc1ccc2c(c1)nc(C)n2C1CCCNC1
InChIInChI=1S/C14H19N3/c1-10-5-6-14-13(8-10)16-11(2)17(14)12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyIRAKCYFATBVTCH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.58
Rot. Bonds1

About 2,5-dimethyl-1-piperidin-3-ylbenzimidazole

2,5-dimethyl-1-piperidin-3-ylbenzimidazole (PubChem CID 84793055) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-piperidin-3-ylbenzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-1-piperidin-3-ylbenzimidazole
PubChem CID84793055
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2,5-dimethyl-1-piperidin-3-ylbenzimidazole
SMILESCc1ccc2c(c1)nc(C)n2C1CCCNC1
InChIInChI=1S/C14H19N3/c1-10-5-6-14-13(8-10)16-11(2)17(14)12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyIRAKCYFATBVTCH-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-pyrrolidin-3-ylbenzimidazole
CID 84784214
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
CID 162422976
7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole
CID 84815254
2,6-dimethyl-3-piperidin-3-ylpyrimidin-4-one
CID 126857734
6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one
CID 141376183
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
1-cyclopropyl-2-methyl-5-pyrrolidin-2-ylbenzimidazole
CID 82497189
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
1-[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)piperidin-3-yl]oxy-2-methylpropan-2-ol
CID 68507642
6-(aminomethyl)-2-methyl-3-piperidin-3-ylquinazolin-4-one
CID 141376185
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-piperidin-3-ylbenzimidazole?
The IUPAC name of 2,5-dimethyl-1-piperidin-3-ylbenzimidazole (CID 84793055) is 2,5-dimethyl-1-piperidin-3-ylbenzimidazole.
What is the SMILES notation for 2,5-dimethyl-1-piperidin-3-ylbenzimidazole?
The canonical SMILES for 2,5-dimethyl-1-piperidin-3-ylbenzimidazole is Cc1ccc2c(c1)nc(C)n2C1CCCNC1.
What is the InChIKey of 2,5-dimethyl-1-piperidin-3-ylbenzimidazole?
The InChIKey is IRAKCYFATBVTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-6-14-13(8-10)16-11(2)17(14)12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-piperidin-3-ylbenzimidazole?
2,5-dimethyl-1-piperidin-3-ylbenzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-piperidin-3-ylbenzimidazole is sourced from PubChem (CID 84793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).