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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Related Compounds

CID 1464
CID 1464
CID 448965
CID 448965
CID 136387462
CID 136387462
CID 393989
CID 393989
CID 291270
CID 291270
CID 122195227
CID 122195227
CID 122195228
CID 122195228
CID 136387461
CID 136387461
CID 628339
CID 628339
CID 937788
CID 937788
CID 10071840
CID 10071840
CID 4460926
CID 4460926

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).