6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole

C30H24N6 — CID 10050304

IUPAC6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESCC(C)c1nc2ccc(-c3nc4ccc(-c5nc6ccc(-c7ccccc7)cc6[nH]5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C30H24N6/c1-17(2)28-31-22-12-9-20(15-26(22)34-28)30-33-24-13-10-21(16-27(24)36-30)29-32-23-11-8-19(14-25(23)35-29)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyQQOHMULNHMBVDX-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.44
Rot. Bonds4

About 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole

6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 10050304) has the molecular formula C30H24N6 and a molecular weight of 468.56 g/mol. Its IUPAC name is 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
PubChem CID10050304
Molecular FormulaC30H24N6
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESCC(C)c1nc2ccc(-c3nc4ccc(-c5nc6ccc(-c7ccccc7)cc6[nH]5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C30H24N6/c1-17(2)28-31-22-12-9-20(15-26(22)34-28)30-33-24-13-10-21(16-27(24)36-30)29-32-23-11-8-19(14-25(23)35-29)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyQQOHMULNHMBVDX-UHFFFAOYSA-N
XLogP7.44
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 10050304) is 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole is CC(C)c1nc2ccc(-c3nc4ccc(-c5nc6ccc(-c7ccccc7)cc6[nH]5)cc4[nH]3)cc2[nH]1.
What is the InChIKey of 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is QQOHMULNHMBVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6/c1-17(2)28-31-22-12-9-20(15-26(22)34-28)30-33-24-13-10-21(16-27(24)36-30)29-32-23-11-8-19(14-25(23)35-29)18-6-4-3-5-7-18/h3-17H,1-2H3,(H,31,34)(H,32,35)(H,33,36).
What are the key properties of 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 468.56 g/mol, XLogP of 7.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 10050304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).