1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol

C22H27N3O2 — CID 129454948

IUPAC1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol
SMILESCc1ccc(OCC2(O)CCN(Cc3ccc4nc[nH]c4c3)CC2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-16-3-6-21(17(2)11-16)27-14-22(26)7-9-25(10-8-22)13-18-4-5-19-20(12-18)24-15-23-19/h3-6,11-12,15,26H,7-10,13-14H2,1-2H3,(H,23,24)
InChIKeyGPQHZRAQJDZASO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.59
Rot. Bonds5

About 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol

1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol (PubChem CID 129454948) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol
PubChem CID129454948
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol
SMILESCc1ccc(OCC2(O)CCN(Cc3ccc4nc[nH]c4c3)CC2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-16-3-6-21(17(2)11-16)27-14-22(26)7-9-25(10-8-22)13-18-4-5-19-20(12-18)24-15-23-19/h3-6,11-12,15,26H,7-10,13-14H2,1-2H3,(H,23,24)
InChIKeyGPQHZRAQJDZASO-UHFFFAOYSA-N
XLogP3.59
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3H-benzimidazol-5-ylmethyl)-4-[(4-fluorophenoxy)methyl]piperidin-4-ol
CID 129454135
4-[(2,4-dimethylphenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]azepan-4-ol
CID 132764990
4-[(2,4-dimethylphenoxy)methyl]-1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-ol
CID 155993036
4-[(2,4-dimethylphenoxy)methyl]-1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]azepan-4-ol
CID 132767721
4-[(2,4-dimethylphenoxy)methyl]-1-[[4-methoxy-3-(3-pyrazol-1-ylpropoxy)phenyl]methyl]azepan-4-ol
CID 132768414
6-[[4-[(3,4-dichlorophenoxy)methyl]-4-methoxypiperidin-1-yl]methyl]-1H-benzimidazole
CID 129457203
1-[3-[5-[[4-[(2,4-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]methyl]-2-methoxyphenoxy]propyl]azepan-2-one
CID 132769266
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol
CID 132775918
2-[4-[(2,4-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 132766405
1-[[4-methoxy-3-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]-4-[(4-methylphenoxy)methyl]azepan-4-ol
CID 132768088
N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
CID 23383026

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol?
The IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol (CID 129454948) is 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol is Cc1ccc(OCC2(O)CCN(Cc3ccc4nc[nH]c4c3)CC2)c(C)c1.
What is the InChIKey of 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol?
The InChIKey is GPQHZRAQJDZASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-3-6-21(17(2)11-16)27-14-22(26)7-9-25(10-8-22)13-18-4-5-19-20(12-18)24-15-23-19/h3-6,11-12,15,26H,7-10,13-14H2,1-2H3,(H,23,24).
What are the key properties of 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol?
1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol has a molecular weight of 365.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 129454948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).