1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole

C15H21N3 — CID 54920145

IUPAC1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
SMILESCCn1c(C2CCCNC2)nc2cc(C)ccc21
InChIInChI=1S/C15H21N3/c1-3-18-14-7-6-11(2)9-13(14)17-15(18)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyUXCZLOOQVKUJAI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.83
Rot. Bonds2

About 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole

1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole (PubChem CID 54920145) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
PubChem CID54920145
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
SMILESCCn1c(C2CCCNC2)nc2cc(C)ccc21
InChIInChI=1S/C15H21N3/c1-3-18-14-7-6-11(2)9-13(14)17-15(18)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3
InChIKeyUXCZLOOQVKUJAI-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole?
The IUPAC name of 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole (CID 54920145) is 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole.
What is the SMILES notation for 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole?
The canonical SMILES for 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole is CCn1c(C2CCCNC2)nc2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole?
The InChIKey is UXCZLOOQVKUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-18-14-7-6-11(2)9-13(14)17-15(18)12-5-4-8-16-10-12/h6-7,9,12,16H,3-5,8,10H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole?
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole is sourced from PubChem (CID 54920145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).