2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole

C16H23N3 — CID 114427691

IUPAC2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole
SMILESCCC1CCNC(c2nc3cc(C)ccc3n2C)C1
InChIInChI=1S/C16H23N3/c1-4-12-7-8-17-14(10-12)16-18-13-9-11(2)5-6-15(13)19(16)3/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyAWMKGPHWVRCZJR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.33
Rot. Bonds2

About 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole

2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole (PubChem CID 114427691) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole
PubChem CID114427691
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole
SMILESCCC1CCNC(c2nc3cc(C)ccc3n2C)C1
InChIInChI=1S/C16H23N3/c1-4-12-7-8-17-14(10-12)16-18-13-9-11(2)5-6-15(13)19(16)3/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3
InChIKeyAWMKGPHWVRCZJR-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
CID 114427713
1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
4-ethyl-2-(3-fluoro-5-methylphenyl)piperidine
CID 79705317
1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole
CID 102776684
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 114427841
5-(4-ethylpiperidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114431944
2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole
CID 114429809
5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole
CID 114430038
2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine
CID 130495164

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole (CID 114427691) is 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole is CCC1CCNC(c2nc3cc(C)ccc3n2C)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole?
The InChIKey is AWMKGPHWVRCZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-12-7-8-17-14(10-12)16-18-13-9-11(2)5-6-15(13)19(16)3/h5-6,9,12,14,17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole?
2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole is sourced from PubChem (CID 114427691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).