6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole

C36H30N12 — CID 10077745

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESc1cc2nc(-c3ccc4nc(CCc5nc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)cc6[nH]5)[nH]c4c3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C36H30N12/c1-7-25-29(15-19(1)33-37-11-12-38-33)47-35(45-25)21-3-5-23-27(17-21)43-31(41-23)9-10-32-42-24-6-4-22(18-28(24)44-32)36-46-26-8-2-20(16-30(26)48-36)34-39-13-14-40-34/h1-8,15-18H,9-14H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44)(H,45,47)(H,46,48)
InChIKeyADFHRJBEOFOFAV-UHFFFAOYSA-N
MW630.72 g/mol
LogP5.01
Rot. Bonds7

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 10077745) has the molecular formula C36H30N12 and a molecular weight of 630.72 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
PubChem CID10077745
Molecular FormulaC36H30N12
Molecular Weight630.72 g/mol
Exact Mass630.27
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESc1cc2nc(-c3ccc4nc(CCc5nc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)cc6[nH]5)[nH]c4c3)[nH]c2cc1C1=NCCN1
InChIInChI=1S/C36H30N12/c1-7-25-29(15-19(1)33-37-11-12-38-33)47-35(45-25)21-3-5-23-27(17-21)43-31(41-23)9-10-32-42-24-6-4-22(18-28(24)44-32)36-46-26-8-2-20(16-30(26)48-36)34-39-13-14-40-34/h1-8,15-18H,9-14H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44)(H,45,47)(H,46,48)
InChIKeyADFHRJBEOFOFAV-UHFFFAOYSA-N
XLogP5.01
TPSA163.50 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500630.72
LogP ≤ 55.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 10077745) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole is c1cc2nc(-c3ccc4nc(CCc5nc6ccc(-c7nc8ccc(C9=NCCN9)cc8[nH]7)cc6[nH]5)[nH]c4c3)[nH]c2cc1C1=NCCN1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is ADFHRJBEOFOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N12/c1-7-25-29(15-19(1)33-37-11-12-38-33)47-35(45-25)21-3-5-23-27(17-21)43-31(41-23)9-10-32-42-24-6-4-22(18-28(24)44-32)36-46-26-8-2-20(16-30(26)48-36)34-39-13-14-40-34/h1-8,15-18H,9-14H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44)(H,45,47)(H,46,48).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 630.72 g/mol, XLogP of 5.01, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[2-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]ethyl]-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 10077745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).