2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine

C17H26N4 — CID 82310578

IUPAC2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine
SMILESCC1CC(C)CN(Cc2nc3ccccc3n2CCN)C1
InChIInChI=1S/C17H26N4/c1-13-9-14(2)11-20(10-13)12-17-19-15-5-3-4-6-16(15)21(17)8-7-18/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyVAVGIVGMSYRODL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.47
Rot. Bonds4

About 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine

2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine (PubChem CID 82310578) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine
PubChem CID82310578
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine
SMILESCC1CC(C)CN(Cc2nc3ccccc3n2CCN)C1
InChIInChI=1S/C17H26N4/c1-13-9-14(2)11-20(10-13)12-17-19-15-5-3-4-6-16(15)21(17)8-7-18/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyVAVGIVGMSYRODL-UHFFFAOYSA-N
XLogP2.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
(3aS,6aS)-5-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146043766
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
(3R,4S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166253499
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631
6-[(3,5-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 18771836
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine (CID 82310578) is 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine is CC1CC(C)CN(Cc2nc3ccccc3n2CCN)C1.
What is the InChIKey of 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine?
The InChIKey is VAVGIVGMSYRODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13-9-14(2)11-20(10-13)12-17-19-15-5-3-4-6-16(15)21(17)8-7-18/h3-6,13-14H,7-12,18H2,1-2H3.
What are the key properties of 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine?
2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82310578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).