2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole

C20H20N6S — CID 143026631

IUPAC2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole
SMILESCN1CCN(c2ncc(-c3nc4ccc(-c5cccs5)cc4[nH]3)cn2)CC1
InChIInChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)20-21-12-15(13-22-20)19-23-16-5-4-14(11-17(16)24-19)18-3-2-10-27-18/h2-5,10-13H,6-9H2,1H3,(H,23,24)
InChIKeyJRPUBPHNSBSGGF-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.50
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole

2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole (PubChem CID 143026631) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole
PubChem CID143026631
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole
SMILESCN1CCN(c2ncc(-c3nc4ccc(-c5cccs5)cc4[nH]3)cn2)CC1
InChIInChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)20-21-12-15(13-22-20)19-23-16-5-4-14(11-17(16)24-19)18-3-2-10-27-18/h2-5,10-13H,6-9H2,1H3,(H,23,24)
InChIKeyJRPUBPHNSBSGGF-UHFFFAOYSA-N
XLogP3.50
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
6-(4-methylpiperazin-1-yl)-2-[2-(4-prop-2-ynoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 58160590
1-(5-thiophen-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 116976383
azane;2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 69083444
2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;tetrahydrate;trihydrochloride
CID 146675206
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
6-chloro-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-2-yl-1H-benzimidazole
CID 72707006
2-(4-ethoxy-3-(131I)iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 10627102
2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
CID 168555198
N,N-dimethyl-2-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethanamine
CID 155806119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole (CID 143026631) is 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole is CN1CCN(c2ncc(-c3nc4ccc(-c5cccs5)cc4[nH]3)cn2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole?
The InChIKey is JRPUBPHNSBSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-25-6-8-26(9-7-25)20-21-12-15(13-22-20)19-23-16-5-4-14(11-17(16)24-19)18-3-2-10-27-18/h2-5,10-13H,6-9H2,1H3,(H,23,24).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole?
2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole has a molecular weight of 376.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-6-thiophen-2-yl-1H-benzimidazole is sourced from PubChem (CID 143026631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).