1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole

C16H23N3 — CID 84636844

IUPAC1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1ccc2c(nc(CC3CCCNC3)n2C)c1C
InChIInChI=1S/C16H23N3/c1-11-6-7-14-16(12(11)2)18-15(19(14)3)9-13-5-4-8-17-10-13/h6-7,13,17H,4-5,8-10H2,1-3H3
InChIKeyPRMRUIJSINBBGS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.73
Rot. Bonds2

About 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole

1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 84636844) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
PubChem CID84636844
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1ccc2c(nc(CC3CCCNC3)n2C)c1C
InChIInChI=1S/C16H23N3/c1-11-6-7-14-16(12(11)2)18-15(19(14)3)9-13-5-4-8-17-10-13/h6-7,13,17H,4-5,8-10H2,1-3H3
InChIKeyPRMRUIJSINBBGS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-methylsulfonyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 81456225
2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-1-(3-piperidin-3-ylpropyl)benzimidazole
CID 21188696
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84634258
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
CID 117360765
1-bromo-8-methyl-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254803
3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676347
1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 84636845

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole (CID 84636844) is 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole is Cc1ccc2c(nc(CC3CCCNC3)n2C)c1C.
What is the InChIKey of 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is PRMRUIJSINBBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-6-7-14-16(12(11)2)18-15(19(14)3)9-13-5-4-8-17-10-13/h6-7,13,17H,4-5,8-10H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole?
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 257.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 84636844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).