1-(piperidin-3-ylmethyl)benzimidazol-5-ol

C13H17N3O — CID 84794554

IUPAC1-(piperidin-3-ylmethyl)benzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2CC1CCCNC1
InChIInChI=1S/C13H17N3O/c17-11-3-4-13-12(6-11)15-9-16(13)8-10-2-1-5-14-7-10/h3-4,6,9-10,14,17H,1-2,5,7-8H2
InChIKeyHDLFSGBRKLPMGN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds2

About 1-(piperidin-3-ylmethyl)benzimidazol-5-ol

1-(piperidin-3-ylmethyl)benzimidazol-5-ol (PubChem CID 84794554) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)benzimidazol-5-ol.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)benzimidazol-5-ol
PubChem CID84794554
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(piperidin-3-ylmethyl)benzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2CC1CCCNC1
InChIInChI=1S/C13H17N3O/c17-11-3-4-13-12(6-11)15-9-16(13)8-10-2-1-5-14-7-10/h3-4,6,9-10,14,17H,1-2,5,7-8H2
InChIKeyHDLFSGBRKLPMGN-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 68898401
6-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84786764
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974
1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 154455825
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine
CID 114130078
1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
1-[(dimethylamino)methyl]benzimidazol-5-ol
CID 175490360

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)benzimidazol-5-ol?
The IUPAC name of 1-(piperidin-3-ylmethyl)benzimidazol-5-ol (CID 84794554) is 1-(piperidin-3-ylmethyl)benzimidazol-5-ol.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)benzimidazol-5-ol?
The canonical SMILES for 1-(piperidin-3-ylmethyl)benzimidazol-5-ol is Oc1ccc2c(c1)ncn2CC1CCCNC1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)benzimidazol-5-ol?
The InChIKey is HDLFSGBRKLPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-11-3-4-13-12(6-11)15-9-16(13)8-10-2-1-5-14-7-10/h3-4,6,9-10,14,17H,1-2,5,7-8H2.
What are the key properties of 1-(piperidin-3-ylmethyl)benzimidazol-5-ol?
1-(piperidin-3-ylmethyl)benzimidazol-5-ol has a molecular weight of 231.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)benzimidazol-5-ol is sourced from PubChem (CID 84794554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).