1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole

C30H32N6O3 — CID 118009777

IUPAC1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(-c5cnn(C6CCNCC6)c5)ccc43)cc2OC)cn1
InChIInChI=1S/C30H32N6O3/c1-37-29-13-21(3-7-28(29)39-19-22-4-8-30(38-2)32-15-22)17-35-20-33-26-14-23(5-6-27(26)35)24-16-34-36(18-24)25-9-11-31-12-10-25/h3-8,13-16,18,20,25,31H,9-12,17,19H2,1-2H3
InChIKeyOZFHIGAKHHLPEF-UHFFFAOYSA-N
MW524.63 g/mol
LogP4.86
Rot. Bonds9

About 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole

1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole (PubChem CID 118009777) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole
PubChem CID118009777
Molecular FormulaC30H32N6O3
Molecular Weight524.63 g/mol
Exact Mass524.25
IUPAC Name1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(-c5cnn(C6CCNCC6)c5)ccc43)cc2OC)cn1
InChIInChI=1S/C30H32N6O3/c1-37-29-13-21(3-7-28(29)39-19-22-4-8-30(38-2)32-15-22)17-35-20-33-26-14-23(5-6-27(26)35)24-16-34-36(18-24)25-9-11-31-12-10-25/h3-8,13-16,18,20,25,31H,9-12,17,19H2,1-2H3
InChIKeyOZFHIGAKHHLPEF-UHFFFAOYSA-N
XLogP4.86
TPSA88.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole?
The IUPAC name of 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole (CID 118009777) is 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole.
What is the SMILES notation for 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole?
The canonical SMILES for 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole is COc1ccc(COc2ccc(Cn3cnc4cc(-c5cnn(C6CCNCC6)c5)ccc43)cc2OC)cn1.
What is the InChIKey of 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole?
The InChIKey is OZFHIGAKHHLPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-37-29-13-21(3-7-28(29)39-19-22-4-8-30(38-2)32-15-22)17-35-20-33-26-14-23(5-6-27(26)35)24-16-34-36(18-24)25-9-11-31-12-10-25/h3-8,13-16,18,20,25,31H,9-12,17,19H2,1-2H3.
What are the key properties of 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole?
1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole has a molecular weight of 524.63 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazole is sourced from PubChem (CID 118009777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).