1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole

C15H21N3 — CID 6491167

IUPAC1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
SMILESCC1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C15H21N3/c1-12-7-9-18(10-8-12)11-15-16-13-5-3-4-6-14(13)17(15)2/h3-6,12H,7-11H2,1-2H3
InChIKeyGDRSGLYDXYHEGX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.81
Rot. Bonds2

About 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole

1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole (PubChem CID 6491167) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
PubChem CID6491167
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
SMILESCC1CCN(Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C15H21N3/c1-12-7-9-18(10-8-12)11-15-16-13-5-3-4-6-14(13)17(15)2/h3-6,12H,7-11H2,1-2H3
InChIKeyGDRSGLYDXYHEGX-UHFFFAOYSA-N
XLogP2.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 134000947
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole
CID 46225583
4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 125113468
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
2-[[(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylbenzimidazole
CID 69245438
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 24849789
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
CID 46225320

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole (CID 6491167) is 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole is CC1CCN(Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
The InChIKey is GDRSGLYDXYHEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-7-9-18(10-8-12)11-15-16-13-5-3-4-6-14(13)17(15)2/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole?
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 6491167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).