4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol

C28H31N7O — CID 136504253

IUPAC4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
SMILESCN(C)CCN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C28H31N7O/c1-33(2)11-12-34-13-15-35(16-14-34)21-6-10-24-26(18-21)32-28(30-24)20-5-9-23-25(17-20)31-27(29-23)19-3-7-22(36)8-4-19/h3-10,17-18,36H,11-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZLTVNQRPEZWIKU-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.16
Rot. Bonds6

About 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol

4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol (PubChem CID 136504253) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
PubChem CID136504253
Molecular FormulaC28H31N7O
Molecular Weight481.60 g/mol
Exact Mass481.26
IUPAC Name4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
SMILESCN(C)CCN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1
InChIInChI=1S/C28H31N7O/c1-33(2)11-12-34-13-15-35(16-14-34)21-6-10-24-26(18-21)32-28(30-24)20-5-9-23-25(17-20)31-27(29-23)19-3-7-22(36)8-4-19/h3-10,17-18,36H,11-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZLTVNQRPEZWIKU-UHFFFAOYSA-N
XLogP4.16
TPSA87.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Bisbenzimide
CID 1464
Bisbenzimidazole Trihydrochloride
CID 31953
Bisbenzimidazole
CID 2392
Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-
CID 449494
Hoe 32021
CID 10071840
Bisbenzimide ethoxide trihydrochloride
CID 16760503
Indazole-benzimidazole, 4
CID 135928472
Hoechst 34580
CID 448202
4-[4-phenyl-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638482
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
CID 447506
4-[3-(1H-benzimidazol-2-yl)-1H-indol-2-yl]phenol
CID 136068402
2-(4-ethoxy-3-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 10793308

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol (CID 136504253) is 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol is CN(C)CCN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1.
What is the InChIKey of 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol?
The InChIKey is ZLTVNQRPEZWIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c1-33(2)11-12-34-13-15-35(16-14-34)21-6-10-24-26(18-21)32-28(30-24)20-5-9-23-25(17-20)31-27(29-23)19-3-7-22(36)8-4-19/h3-10,17-18,36H,11-16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol?
4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol has a molecular weight of 481.60 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 136504253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).