2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole

C27H27N5O2 — CID 10343903

IUPAC2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(OC6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C27H27N5O2/c1-32-13-11-20(12-14-32)34-21-8-10-23-25(16-21)31-27(29-23)18-5-9-22-24(15-18)30-26(28-22)17-3-6-19(33-2)7-4-17/h3-10,15-16,20H,11-14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyDERGJMRLPWALAH-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.25
Rot. Bonds5

About 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole

2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole (PubChem CID 10343903) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole
PubChem CID10343903
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(OC6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C27H27N5O2/c1-32-13-11-20(12-14-32)34-21-8-10-23-25(16-21)31-27(29-23)18-5-9-22-24(15-18)30-26(28-22)17-3-6-19(33-2)7-4-17/h3-10,15-16,20H,11-14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyDERGJMRLPWALAH-UHFFFAOYSA-N
XLogP5.25
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-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 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole (CID 10343903) is 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole is COc1ccc(-c2nc3ccc(-c4nc5ccc(OC6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole?
The InChIKey is DERGJMRLPWALAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-32-13-11-20(12-14-32)34-21-8-10-23-25(16-21)31-27(29-23)18-5-9-22-24(15-18)30-26(28-22)17-3-6-19(33-2)7-4-17/h3-10,15-16,20H,11-14H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole?
2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole has a molecular weight of 453.55 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 10343903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).