1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole

C15H21N3 — CID 117360765

IUPAC1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1nc2cccc(CC3CCCNC3)c2n1C
InChIInChI=1S/C15H21N3/c1-11-17-14-7-3-6-13(15(14)18(11)2)9-12-5-4-8-16-10-12/h3,6-7,12,16H,4-5,8-10H2,1-2H3
InChIKeyJCYVIVUCXRSZGG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.42
Rot. Bonds2

About 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole

1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 117360765) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
PubChem CID117360765
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1nc2cccc(CC3CCCNC3)c2n1C
InChIInChI=1S/C15H21N3/c1-11-17-14-7-3-6-13(15(14)18(11)2)9-12-5-4-8-16-10-12/h3,6-7,12,16H,4-5,8-10H2,1-2H3
InChIKeyJCYVIVUCXRSZGG-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

3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
CID 117363445
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
CID 117360773
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 84636844
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole (CID 117360765) is 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole is Cc1nc2cccc(CC3CCCNC3)c2n1C.
What is the InChIKey of 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is JCYVIVUCXRSZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-17-14-7-3-6-13(15(14)18(11)2)9-12-5-4-8-16-10-12/h3,6-7,12,16H,4-5,8-10H2,1-2H3.
What are the key properties of 1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole?
1,2-dimethyl-7-(piperidin-3-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-7-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 117360765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).