2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole

C30H34N4 — CID 126561262

IUPAC2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
SMILESCC(C)(C)Cc1nc2ccc(-c3ccc(-c4ccc5nc(CC(C)(C)C)[nH]c5c4)cc3)cc2[nH]1
InChIInChI=1S/C30H34N4/c1-29(2,3)17-27-31-23-13-11-21(15-25(23)33-27)19-7-9-20(10-8-19)22-12-14-24-26(16-22)34-28(32-24)18-30(4,5)6/h7-16H,17-18H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyUXZYSTATTCIFDU-UHFFFAOYSA-N
MW450.63 g/mol
LogP7.95
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole

2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole (PubChem CID 126561262) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
PubChem CID126561262
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC Name2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
SMILESCC(C)(C)Cc1nc2ccc(-c3ccc(-c4ccc5nc(CC(C)(C)C)[nH]c5c4)cc3)cc2[nH]1
InChIInChI=1S/C30H34N4/c1-29(2,3)17-27-31-23-13-11-21(15-25(23)33-27)19-7-9-20(10-8-19)22-12-14-24-26(16-22)34-28(32-24)18-30(4,5)6/h7-16H,17-18H2,1-6H3,(H,31,33)(H,32,34)
InChIKeyUXZYSTATTCIFDU-UHFFFAOYSA-N
XLogP7.95
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole (CID 126561262) is 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole is CC(C)(C)Cc1nc2ccc(-c3ccc(-c4ccc5nc(CC(C)(C)C)[nH]c5c4)cc3)cc2[nH]1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole?
The InChIKey is UXZYSTATTCIFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1-29(2,3)17-27-31-23-13-11-21(15-25(23)33-27)19-7-9-20(10-8-19)22-12-14-24-26(16-22)34-28(32-24)18-30(4,5)6/h7-16H,17-18H2,1-6H3,(H,31,33)(H,32,34).
What are the key properties of 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole?
2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole has a molecular weight of 450.63 g/mol, XLogP of 7.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-[4-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 126561262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).