1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole

C15H21N3 — CID 117360773

IUPAC1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
SMILESCc1nc2c(CC3CCNCC3)cccc2n1C
InChIInChI=1S/C15H21N3/c1-11-17-15-13(4-3-5-14(15)18(11)2)10-12-6-8-16-9-7-12/h3-5,12,16H,6-10H2,1-2H3
InChIKeyKQMCSCSZNFMPHE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.42
Rot. Bonds2

About 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole

1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 117360773) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
PubChem CID117360773
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
SMILESCc1nc2c(CC3CCNCC3)cccc2n1C
InChIInChI=1S/C15H21N3/c1-11-17-15-13(4-3-5-14(15)18(11)2)10-12-6-8-16-9-7-12/h3-5,12,16H,6-10H2,1-2H3
InChIKeyKQMCSCSZNFMPHE-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole
CID 84694725
1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
CID 117360765
4-(piperidin-4-ylmethyl)-2-propan-2-yl-1,3-benzothiazole
CID 117439002
ethylidene-[2-methyl-4-[(7-methylazepan-4-yl)methyl]benzimidazol-1-yl]-oxo-phenyl-λ6-sulfane
CID 90714969
3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
CID 117493169
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
CID 98034395
4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 84796160
1-methyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692955
7-(piperidin-4-ylmethyl)-1,2-benzothiazole
CID 84795660

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole (CID 117360773) is 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole is Cc1nc2c(CC3CCNCC3)cccc2n1C.
What is the InChIKey of 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is KQMCSCSZNFMPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-17-15-13(4-3-5-14(15)18(11)2)10-12-6-8-16-9-7-12/h3-5,12,16H,6-10H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole?
1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 117360773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).