4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol

C25H30N4O2 — CID 110223962

IUPAC4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol
SMILESCCn1cc(C(O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-2-28-15-20(19-7-3-5-9-22(19)28)24(30)16-27-13-11-25(31,12-14-27)17-29-18-26-21-8-4-6-10-23(21)29/h3-10,15,18,24,30-31H,2,11-14,16-17H2,1H3
InChIKeyLCQWZTHGHLLXDL-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.57
Rot. Bonds6

About 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol

4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol (PubChem CID 110223962) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol
PubChem CID110223962
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol
SMILESCCn1cc(C(O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-2-28-15-20(19-7-3-5-9-22(19)28)24(30)16-27-13-11-25(31,12-14-27)17-29-18-26-21-8-4-6-10-23(21)29/h3-10,15,18,24,30-31H,2,11-14,16-17H2,1H3
InChIKeyLCQWZTHGHLLXDL-UHFFFAOYSA-N
XLogP3.57
TPSA66.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(1-ethylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872225
(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51872224
3-(benzimidazol-1-ylmethyl)-1-benzylpyrrolidin-3-ol
CID 176913337
3-[[4-hydroxy-1-(2-methyl-3-phenylpropyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 122420674
(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501874
1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 16673676
6-chloro-1'-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955195
(1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 92589994
(1R)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethylindol-3-yl)ethanol
CID 92589991
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221520
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol (CID 110223962) is 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol is CCn1cc(C(O)CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol?
The InChIKey is LCQWZTHGHLLXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-2-28-15-20(19-7-3-5-9-22(19)28)24(30)16-27-13-11-25(31,12-14-27)17-29-18-26-21-8-4-6-10-23(21)29/h3-10,15,18,24,30-31H,2,11-14,16-17H2,1H3.
What are the key properties of 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol?
4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol has a molecular weight of 418.54 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-1-[2-(1-ethylindol-3-yl)-2-hydroxyethyl]piperidin-4-ol is sourced from PubChem (CID 110223962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).