7-methyl-1-(piperidin-3-ylmethyl)benzimidazole

C14H19N3 — CID 84793040

IUPAC7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1cccc2ncn(CC3CCCNC3)c12
InChIInChI=1S/C14H19N3/c1-11-4-2-6-13-14(11)17(10-16-13)9-12-5-3-7-15-8-12/h2,4,6,10,12,15H,3,5,7-9H2,1H3
InChIKeyLMSOLXDTPLKPAV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.34
Rot. Bonds2

About 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole

7-methyl-1-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 84793040) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
PubChem CID84793040
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1cccc2ncn(CC3CCCNC3)c12
InChIInChI=1S/C14H19N3/c1-11-4-2-6-13-14(11)17(10-16-13)9-12-5-3-7-15-8-12/h2,4,6,10,12,15H,3,5,7-9H2,1H3
InChIKeyLMSOLXDTPLKPAV-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 68898401
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
[4-[(7-methylbenzimidazol-1-yl)methyl]phenyl]-(1-pyrrolidin-3-ylpyrrolidin-1-ium-1-yl)methanone
CID 87729184
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole (CID 84793040) is 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole is Cc1cccc2ncn(CC3CCCNC3)c12.
What is the InChIKey of 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is LMSOLXDTPLKPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-2-6-13-14(11)17(10-16-13)9-12-5-3-7-15-8-12/h2,4,6,10,12,15H,3,5,7-9H2,1H3.
What are the key properties of 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole?
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 84793040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).