1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol

C31H30N4O3 — CID 176963253

IUPAC1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cccc3c2ncn3-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)CC1
InChIInChI=1S/C31H30N4O3/c36-25-16-18-34(19-17-25)26-12-7-13-27-30(26)32-22-35(27)28-14-15-29(37-20-23-8-3-1-4-9-23)33-31(28)38-21-24-10-5-2-6-11-24/h1-15,22,25,36H,16-21H2
InChIKeyGTYKFKCFUSADBA-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.54
Rot. Bonds8

About 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol

1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol (PubChem CID 176963253) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol
PubChem CID176963253
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC Name1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cccc3c2ncn3-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)CC1
InChIInChI=1S/C31H30N4O3/c36-25-16-18-34(19-17-25)26-12-7-13-27-30(26)32-22-35(27)28-14-15-29(37-20-23-8-3-1-4-9-23)33-31(28)38-21-24-10-5-2-6-11-24/h1-15,22,25,36H,16-21H2
InChIKeyGTYKFKCFUSADBA-UHFFFAOYSA-N
XLogP5.54
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 163862354
CID 163862354
tert-butyl N-[[1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]methyl]carbamate
CID 156507454
2-[1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methyl-2-oxobenzimidazol-5-yl]-3-methylpiperidin-4-yl]acetic acid
CID 166549512
[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
CID 166113291
4-[(1R)-1-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]piperidin-4-yl]-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 170433417
(3S)-4-[[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]piperidin-4-yl]methyl]-3-(trifluoromethyl)piperazine-1-carboxylic acid
CID 170432446
[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol
CID 170629428
1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate
CID 168873319
2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]piperidin-4-yl]ethyl methanesulfonate
CID 170433300
benzyl 4-[[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]pyrrolidin-3-yl]methyl]piperidine-1-carboxylate
CID 170629828
benzyl 4-[(1S)-1-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]piperidin-4-yl]-1-hydroxyethyl]piperidine-1-carboxylate
CID 170617044
tert-butyl N-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]carbamate
CID 171431395

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol (CID 176963253) is 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol is OC1CCN(c2cccc3c2ncn3-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)CC1.
What is the InChIKey of 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol?
The InChIKey is GTYKFKCFUSADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3/c36-25-16-18-34(19-17-25)26-12-7-13-27-30(26)32-22-35(27)28-14-15-29(37-20-23-8-3-1-4-9-23)33-31(28)38-21-24-10-5-2-6-11-24/h1-15,22,25,36H,16-21H2.
What are the key properties of 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol?
1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol has a molecular weight of 506.61 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,6-bis(phenylmethoxy)-3-pyridinyl]benzimidazol-4-yl]piperidin-4-ol is sourced from PubChem (CID 176963253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).