2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole

C29H30N6O4 — CID 118009779

IUPAC2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCCNC6)o5)ccc43)cc2OC)cn1
InChIInChI=1S/C29H30N6O4/c1-36-26-12-19(5-9-25(26)38-17-20-6-10-27(37-2)31-14-20)16-35-18-32-23-13-21(7-8-24(23)35)28-33-34-29(39-28)22-4-3-11-30-15-22/h5-10,12-14,18,22,30H,3-4,11,15-17H2,1-2H3
InChIKeyYJYPEGFCCCYDKE-UHFFFAOYSA-N
MW526.60 g/mol
LogP4.59
Rot. Bonds9

About 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole

2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole (PubChem CID 118009779) has the molecular formula C29H30N6O4 and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
PubChem CID118009779
Molecular FormulaC29H30N6O4
Molecular Weight526.60 g/mol
Exact Mass526.23
IUPAC Name2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCCNC6)o5)ccc43)cc2OC)cn1
InChIInChI=1S/C29H30N6O4/c1-36-26-12-19(5-9-25(26)38-17-20-6-10-27(37-2)31-14-20)16-35-18-32-23-13-21(7-8-24(23)35)28-33-34-29(39-28)22-4-3-11-30-15-22/h5-10,12-14,18,22,30H,3-4,11,15-17H2,1-2H3
InChIKeyYJYPEGFCCCYDKE-UHFFFAOYSA-N
XLogP4.59
TPSA109.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433225
5-(5-(3,4-Dimethoxyphenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433266
5-(5-(2,3-Dimethoxyphenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433274
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[[1-methyl-2-[[4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630704
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[[1-methyl-2-[[4-(N-propan-2-yloxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630705
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630708
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[[2-[[4-(N-ethoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630709
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[[1-methyl-2-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630710
1-cyclohexyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridyl)benzimidazole-5-carboxamide
CID 490947
1-[[3-Methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole
CID 118009777
3-[1-[[3-Methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 118009800
2-[3-[[3-Methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 118009801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole (CID 118009779) is 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole is COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCCNC6)o5)ccc43)cc2OC)cn1.
What is the InChIKey of 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
The InChIKey is YJYPEGFCCCYDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4/c1-36-26-12-19(5-9-25(26)38-17-20-6-10-27(37-2)31-14-20)16-35-18-32-23-13-21(7-8-24(23)35)28-33-34-29(39-28)22-4-3-11-30-15-22/h5-10,12-14,18,22,30H,3-4,11,15-17H2,1-2H3.
What are the key properties of 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole has a molecular weight of 526.60 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 118009779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).