2-methyl-2-piperidin-4-ylbenzimidazole

C13H17N3 — CID 21268299

IUPAC2-methyl-2-piperidin-4-ylbenzimidazole
SMILESCC1(C2CCNCC2)N=c2ccccc2=N1
InChIInChI=1S/C13H17N3/c1-13(10-6-8-14-9-7-10)15-11-4-2-3-5-12(11)16-13/h2-5,10,14H,6-9H2,1H3
InChIKeyNQOUKNWRDVOSBW-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.66
Rot. Bonds1

About 2-methyl-2-piperidin-4-ylbenzimidazole

2-methyl-2-piperidin-4-ylbenzimidazole (PubChem CID 21268299) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-2-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name2-methyl-2-piperidin-4-ylbenzimidazole
PubChem CID21268299
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-2-piperidin-4-ylbenzimidazole
SMILESCC1(C2CCNCC2)N=c2ccccc2=N1
InChIInChI=1S/C13H17N3/c1-13(10-6-8-14-9-7-10)15-11-4-2-3-5-12(11)16-13/h2-5,10,14H,6-9H2,1H3
InChIKeyNQOUKNWRDVOSBW-UHFFFAOYSA-N
XLogP0.66
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-4-ylbenzimidazole?
The IUPAC name of 2-methyl-2-piperidin-4-ylbenzimidazole (CID 21268299) is 2-methyl-2-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 2-methyl-2-piperidin-4-ylbenzimidazole?
The canonical SMILES for 2-methyl-2-piperidin-4-ylbenzimidazole is CC1(C2CCNCC2)N=c2ccccc2=N1.
What is the InChIKey of 2-methyl-2-piperidin-4-ylbenzimidazole?
The InChIKey is NQOUKNWRDVOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(10-6-8-14-9-7-10)15-11-4-2-3-5-12(11)16-13/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 2-methyl-2-piperidin-4-ylbenzimidazole?
2-methyl-2-piperidin-4-ylbenzimidazole has a molecular weight of 215.30 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 21268299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).