4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol

C20H23N3O2 — CID 66836297

IUPAC4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol
SMILESCN1CCC(OC(c2ccc(O)cc2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H23N3O2/c1-23-12-10-16(11-13-23)25-19(14-6-8-15(24)9-7-14)20-21-17-4-2-3-5-18(17)22-20/h2-9,16,19,24H,10-13H2,1H3,(H,21,22)
InChIKeyWKFHATKGDDXMMJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.47
Rot. Bonds4

About 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol

4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol (PubChem CID 66836297) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol.

Molecular Properties

Compound Name4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol
PubChem CID66836297
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol
SMILESCN1CCC(OC(c2ccc(O)cc2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H23N3O2/c1-23-12-10-16(11-13-23)25-19(14-6-8-15(24)9-7-14)20-21-17-4-2-3-5-18(17)22-20/h2-9,16,19,24H,10-13H2,1H3,(H,21,22)
InChIKeyWKFHATKGDDXMMJ-UHFFFAOYSA-N
XLogP3.47
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 66836132
2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512834
2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
CID 66835877
2-[(3-ethylsulfanyl-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512953
2-[(S)-1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]-6-fluorophenol;hydrate
CID 146471919
2-[[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methoxy]-2-oxoacetic acid
CID 66836153
2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole
CID 56948240
2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512981
2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 56948840
2-[(2-fluoro-3-iodophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512806
3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenoxy]propan-1-amine
CID 67512767
2-[3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]propyl]guanidine
CID 67512169

Frequently Asked Questions

What is the IUPAC name of 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol?
The IUPAC name of 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol (CID 66836297) is 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol.
What is the SMILES notation for 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol?
The canonical SMILES for 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol is CN1CCC(OC(c2ccc(O)cc2)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol?
The InChIKey is WKFHATKGDDXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23-12-10-16(11-13-23)25-19(14-6-8-15(24)9-7-14)20-21-17-4-2-3-5-18(17)22-20/h2-9,16,19,24H,10-13H2,1H3,(H,21,22).
What are the key properties of 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol?
4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol has a molecular weight of 337.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol is sourced from PubChem (CID 66836297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).