1-methyl-5-piperidin-4-yloxybenzimidazole

C13H17N3O — CID 84694843

IUPAC1-methyl-5-piperidin-4-yloxybenzimidazole
SMILESCn1cnc2cc(OC3CCNCC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-9-15-12-8-11(2-3-13(12)16)17-10-4-6-14-7-5-10/h2-3,8-10,14H,4-7H2,1H3
InChIKeyVNSSXGMYLZLATR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.70
Rot. Bonds2

About 1-methyl-5-piperidin-4-yloxybenzimidazole

1-methyl-5-piperidin-4-yloxybenzimidazole (PubChem CID 84694843) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-5-piperidin-4-yloxybenzimidazole.

Molecular Properties

Compound Name1-methyl-5-piperidin-4-yloxybenzimidazole
PubChem CID84694843
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-methyl-5-piperidin-4-yloxybenzimidazole
SMILESCn1cnc2cc(OC3CCNCC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-9-15-12-8-11(2-3-13(12)16)17-10-4-6-14-7-5-10/h2-3,8-10,14H,4-7H2,1H3
InChIKeyVNSSXGMYLZLATR-UHFFFAOYSA-N
XLogP1.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxibendazole
CID 4622
Fabomotizole
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5-methoxy-1H-benzimidazole
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5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-(2,3-Epoxypropoxy)-1-phenylbenzimidazole
CID 5328503
3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propane-1,2-diol
CID 5328504

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-piperidin-4-yloxybenzimidazole?
The IUPAC name of 1-methyl-5-piperidin-4-yloxybenzimidazole (CID 84694843) is 1-methyl-5-piperidin-4-yloxybenzimidazole.
What is the SMILES notation for 1-methyl-5-piperidin-4-yloxybenzimidazole?
The canonical SMILES for 1-methyl-5-piperidin-4-yloxybenzimidazole is Cn1cnc2cc(OC3CCNCC3)ccc21.
What is the InChIKey of 1-methyl-5-piperidin-4-yloxybenzimidazole?
The InChIKey is VNSSXGMYLZLATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-9-15-12-8-11(2-3-13(12)16)17-10-4-6-14-7-5-10/h2-3,8-10,14H,4-7H2,1H3.
What are the key properties of 1-methyl-5-piperidin-4-yloxybenzimidazole?
1-methyl-5-piperidin-4-yloxybenzimidazole has a molecular weight of 231.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-piperidin-4-yloxybenzimidazole is sourced from PubChem (CID 84694843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).