1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole

C15H21N3 — CID 84631010

IUPAC1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
SMILESCc1cc(C)c2c(c1)nc(C1CCCCN1)n2C
InChIInChI=1S/C15H21N3/c1-10-8-11(2)14-13(9-10)17-15(18(14)3)12-6-4-5-7-16-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeySVRMAZOJGQWHOY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.00
Rot. Bonds1

About 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole

1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole (PubChem CID 84631010) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole.

Molecular Properties

Compound Name1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
PubChem CID84631010
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
SMILESCc1cc(C)c2c(c1)nc(C1CCCCN1)n2C
InChIInChI=1S/C15H21N3/c1-10-8-11(2)14-13(9-10)17-15(18(14)3)12-6-4-5-7-16-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeySVRMAZOJGQWHOY-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
CID 84629728
1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole
CID 84630526
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
2-(azocan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 114239785
6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
CID 84636801
5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646012
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole?
The IUPAC name of 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole (CID 84631010) is 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole.
What is the SMILES notation for 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole?
The canonical SMILES for 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole is Cc1cc(C)c2c(c1)nc(C1CCCCN1)n2C.
What is the InChIKey of 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole?
The InChIKey is SVRMAZOJGQWHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-8-11(2)14-13(9-10)17-15(18(14)3)12-6-4-5-7-16-12/h8-9,12,16H,4-7H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole?
1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole has a molecular weight of 243.35 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole is sourced from PubChem (CID 84631010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).