2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine

C30H35N7O2 — CID 90682039

IUPAC2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(CCN(C)C)CC6)cc5[nH]4)cc3[nH]2)cc1OC
InChIInChI=1S/C30H35N7O2/c1-35(2)11-12-36-13-15-37(16-14-36)22-7-9-24-26(19-22)34-29(32-24)20-5-8-23-25(17-20)33-30(31-23)21-6-10-27(38-3)28(18-21)39-4/h5-10,17-19H,11-16H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyRZHAOZCPHFBKRG-UHFFFAOYSA-N
MW525.66 g/mol
LogP4.47
Rot. Bonds8

About 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 90682039) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID90682039
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC Name2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(CCN(C)C)CC6)cc5[nH]4)cc3[nH]2)cc1OC
InChIInChI=1S/C30H35N7O2/c1-35(2)11-12-36-13-15-37(16-14-36)22-7-9-24-26(19-22)34-29(32-24)20-5-8-23-25(17-20)33-30(31-23)21-6-10-27(38-3)28(18-21)39-4/h5-10,17-19H,11-16H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyRZHAOZCPHFBKRG-UHFFFAOYSA-N
XLogP4.47
TPSA85.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 90682039) is 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine is COc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(CCN(C)C)CC6)cc5[nH]4)cc3[nH]2)cc1OC.
What is the InChIKey of 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is RZHAOZCPHFBKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-35(2)11-12-36-13-15-37(16-14-36)22-7-9-24-26(19-22)34-29(32-24)20-5-8-23-25(17-20)33-30(31-23)21-6-10-27(38-3)28(18-21)39-4/h5-10,17-19H,11-16H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 525.66 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 90682039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).