1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

C25H28N4O2 — CID 42596543

IUPAC1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESCCn1c(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)nc2ccccc21
InChIInChI=1S/C25H28N4O2/c1-2-29-23-11-7-6-10-21(23)26-24(29)18-28-14-12-25(30,13-15-28)17-20-16-22(27-31-20)19-8-4-3-5-9-19/h3-11,16,30H,2,12-15,17-18H2,1H3
InChIKeySETUAOJBHRNFRW-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.28
Rot. Bonds6

About 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (PubChem CID 42596543) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
PubChem CID42596543
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESCCn1c(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)nc2ccccc21
InChIInChI=1S/C25H28N4O2/c1-2-29-23-11-7-6-10-21(23)26-24(29)18-28-14-12-25(30,13-15-28)17-20-16-22(27-31-20)19-8-4-3-5-9-19/h3-11,16,30H,2,12-15,17-18H2,1H3
InChIKeySETUAOJBHRNFRW-UHFFFAOYSA-N
XLogP4.28
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol with MolForge

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Related Compounds

4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol
CID 23724014
1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 91832505
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42454719
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-ol
CID 72851273
4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 91828345
[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 70736382
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 75438563
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2R)-2-methylbutyl]piperidin-4-ol
CID 42383406
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 26328797
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 26325119

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (CID 42596543) is 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is CCn1c(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)nc2ccccc21.
What is the InChIKey of 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is SETUAOJBHRNFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-29-23-11-7-6-10-21(23)26-24(29)18-28-14-12-25(30,13-15-28)17-20-16-22(27-31-20)19-8-4-3-5-9-19/h3-11,16,30H,2,12-15,17-18H2,1H3.
What are the key properties of 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 416.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 42596543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).