2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

C29H32N6O2 — CID 90682038

IUPAC2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCCCN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OC)c(OC)c6)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C29H32N6O2/c1-4-11-34-12-14-35(15-13-34)21-7-9-23-25(18-21)33-28(31-23)19-5-8-22-24(16-19)32-29(30-22)20-6-10-26(36-2)27(17-20)37-3/h5-10,16-18H,4,11-15H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyZXDVNHZLXQHDAP-UHFFFAOYSA-N
MW496.62 g/mol
LogP5.32
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole (PubChem CID 90682038) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
PubChem CID90682038
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCCCN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OC)c(OC)c6)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C29H32N6O2/c1-4-11-34-12-14-35(15-13-34)21-7-9-23-25(18-21)33-28(31-23)19-5-8-22-24(16-19)32-29(30-22)20-6-10-26(36-2)27(17-20)37-3/h5-10,16-18H,4,11-15H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyZXDVNHZLXQHDAP-UHFFFAOYSA-N
XLogP5.32
TPSA82.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-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-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole (CID 90682038) is 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole is CCCN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OC)c(OC)c6)[nH]c5c4)[nH]c3c2)CC1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The InChIKey is ZXDVNHZLXQHDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-4-11-34-12-14-35(15-13-34)21-7-9-23-25(18-21)33-28(31-23)19-5-8-22-24(16-19)32-29(30-22)20-6-10-26(36-2)27(17-20)37-3/h5-10,16-18H,4,11-15H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole has a molecular weight of 496.62 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-[6-(4-propylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 90682038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).