1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole

C16H23N3 — CID 84636845

IUPAC1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESCc1ccc2nc(CC3CCNCC3)n(C)c2c1C
InChIInChI=1S/C16H23N3/c1-11-4-5-14-16(12(11)2)19(3)15(18-14)10-13-6-8-17-9-7-13/h4-5,13,17H,6-10H2,1-3H3
InChIKeyOBZWJBKHZKJGPB-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.73
Rot. Bonds2

About 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole

1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 84636845) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
PubChem CID84636845
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESCc1ccc2nc(CC3CCNCC3)n(C)c2c1C
InChIInChI=1S/C16H23N3/c1-11-4-5-14-16(12(11)2)19(3)15(18-14)10-13-6-8-17-9-7-13/h4-5,13,17H,6-10H2,1-3H3
InChIKeyOBZWJBKHZKJGPB-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-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858069
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 84636844
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84744304
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
1-methyl-5-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 96679334
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole (CID 84636845) is 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole is Cc1ccc2nc(CC3CCNCC3)n(C)c2c1C.
What is the InChIKey of 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is OBZWJBKHZKJGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-4-5-14-16(12(11)2)19(3)15(18-14)10-13-6-8-17-9-7-13/h4-5,13,17H,6-10H2,1-3H3.
What are the key properties of 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole?
1,6,7-trimethyl-2-(piperidin-4-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 1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 84636845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).