2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol

C20H23N3O2 — CID 10065665

IUPAC2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CN3CCC(O)(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C20H23N3O2/c24-16-6-7-17-18(12-16)22-19(21-17)14-23-10-8-20(25,9-11-23)13-15-4-2-1-3-5-15/h1-7,12,24-25H,8-11,13-14H2,(H,21,22)
InChIKeyLWLGMNMKDMQTFK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.84
Rot. Bonds4

About 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol

2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol (PubChem CID 10065665) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol
PubChem CID10065665
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CN3CCC(O)(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C20H23N3O2/c24-16-6-7-17-18(12-16)22-19(21-17)14-23-10-8-20(25,9-11-23)13-15-4-2-1-3-5-15/h1-7,12,24-25H,8-11,13-14H2,(H,21,22)
InChIKeyLWLGMNMKDMQTFK-UHFFFAOYSA-N
XLogP2.84
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
CID 81431285
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81432741
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[(3S,4R)-3-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 69365114
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
(4S)-8-(1H-benzimidazol-2-ylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124846890
2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-1-phenylethanone;oxalic acid
CID 71780693

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol (CID 10065665) is 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol is Oc1ccc2nc(CN3CCC(O)(Cc4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol?
The InChIKey is LWLGMNMKDMQTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-16-6-7-17-18(12-16)22-19(21-17)14-23-10-8-20(25,9-11-23)13-15-4-2-1-3-5-15/h1-7,12,24-25H,8-11,13-14H2,(H,21,22).
What are the key properties of 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol?
2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol has a molecular weight of 337.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 10065665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).