6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole

C21H26N4O3 — CID 1477780

IUPAC6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H26N4O3/c1-24-7-9-25(10-8-24)15-5-6-16-17(13-15)23-21(22-16)14-11-18(26-2)20(28-4)19(12-14)27-3/h5-6,11-13H,7-10H2,1-4H3,(H,22,23)
InChIKeyMDRZBFNKPZFCGE-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.01
Rot. Bonds5

About 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole

6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole (PubChem CID 1477780) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
PubChem CID1477780
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H26N4O3/c1-24-7-9-25(10-8-24)15-5-6-16-17(13-15)23-21(22-16)14-11-18(26-2)20(28-4)19(12-14)27-3/h5-6,11-13H,7-10H2,1-4H3,(H,22,23)
InChIKeyMDRZBFNKPZFCGE-UHFFFAOYSA-N
XLogP3.01
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole (CID 1477780) is 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole is COc1cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The InChIKey is MDRZBFNKPZFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24-7-9-25(10-8-24)15-5-6-16-17(13-15)23-21(22-16)14-11-18(26-2)20(28-4)19(12-14)27-3/h5-6,11-13H,7-10H2,1-4H3,(H,22,23).
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole has a molecular weight of 382.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 1477780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).