2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole

C26H26N8 — CID 23368615

IUPAC2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole
SMILESCCC(CCc1nc2ccc(-c3ncc[nH]3)cc2[nH]1)Cc1nc2ccc(-c3ncc[nH]3)cc2[nH]1
InChIInChI=1S/C26H26N8/c1-2-16(13-24-32-20-7-5-18(15-22(20)34-24)26-29-11-12-30-26)3-8-23-31-19-6-4-17(14-21(19)33-23)25-27-9-10-28-25/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
InChIKeyJYYPNFUQSQTCMZ-UHFFFAOYSA-N
MW450.55 g/mol
LogP5.42
Rot. Bonds8

About 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole

2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole (PubChem CID 23368615) has the molecular formula C26H26N8 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole
PubChem CID23368615
Molecular FormulaC26H26N8
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC Name2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole
SMILESCCC(CCc1nc2ccc(-c3ncc[nH]3)cc2[nH]1)Cc1nc2ccc(-c3ncc[nH]3)cc2[nH]1
InChIInChI=1S/C26H26N8/c1-2-16(13-24-32-20-7-5-18(15-22(20)34-24)26-29-11-12-30-26)3-8-23-31-19-6-4-17(14-21(19)33-23)25-27-9-10-28-25/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
InChIKeyJYYPNFUQSQTCMZ-UHFFFAOYSA-N
XLogP5.42
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 55.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole (CID 23368615) is 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole is CCC(CCc1nc2ccc(-c3ncc[nH]3)cc2[nH]1)Cc1nc2ccc(-c3ncc[nH]3)cc2[nH]1.
What is the InChIKey of 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole?
The InChIKey is JYYPNFUQSQTCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8/c1-2-16(13-24-32-20-7-5-18(15-22(20)34-24)26-29-11-12-30-26)3-8-23-31-19-6-4-17(14-21(19)33-23)25-27-9-10-28-25/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,27,28)(H,29,30)(H,31,33)(H,32,34).
What are the key properties of 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole?
2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole has a molecular weight of 450.55 g/mol, XLogP of 5.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 23368615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).