6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole

C23H20N8 — CID 141084129

IUPAC6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole
SMILESCC(C)(c1nc2ccc(-c3ncc[nH]3)cc2[nH]1)c1nc2ccc(-c3ncc[nH]3)cc2[nH]1
InChIInChI=1S/C23H20N8/c1-23(2,21-28-15-5-3-13(11-17(15)30-21)19-24-7-8-25-19)22-29-16-6-4-14(12-18(16)31-22)20-26-9-10-27-20/h3-12H,1-2H3,(H,24,25)(H,26,27)(H,28,30)(H,29,31)
InChIKeyADAQCYQUZQZYDK-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.55
Rot. Bonds4

About 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole

6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole (PubChem CID 141084129) has the molecular formula C23H20N8 and a molecular weight of 408.47 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole
PubChem CID141084129
Molecular FormulaC23H20N8
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole
SMILESCC(C)(c1nc2ccc(-c3ncc[nH]3)cc2[nH]1)c1nc2ccc(-c3ncc[nH]3)cc2[nH]1
InChIInChI=1S/C23H20N8/c1-23(2,21-28-15-5-3-13(11-17(15)30-21)19-24-7-8-25-19)22-29-16-6-4-14(12-18(16)31-22)20-26-9-10-27-20/h3-12H,1-2H3,(H,24,25)(H,26,27)(H,28,30)(H,29,31)
InChIKeyADAQCYQUZQZYDK-UHFFFAOYSA-N
XLogP4.55
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole
CID 10410486
6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole
CID 54074890
6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole
CID 141117816
2-but-2-enyl-6-(1H-imidazol-2-yl)-1H-benzimidazole
CID 85452069
2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole
CID 23368615
[4-[5-[4-[6-(1H-imidazol-2-yl)-1H-benzimidazole-2-carbonyl]phenyl]-1-methylpyrrol-2-yl]phenyl]-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]methanone
CID 11456512
5-(1H-imidazol-2-yl)-2H-benzotriazole
CID 90983409
2-(3,4-dimethylphenyl)-1H-imidazole
CID 12622727
2-tert-butyl-5-(1H-imidazol-2-yl)pyridine
CID 20709460
ethane;2-naphthalen-2-yl-1H-imidazole
CID 145111016
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
CID 76845877
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole?
The IUPAC name of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole (CID 141084129) is 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole is CC(C)(c1nc2ccc(-c3ncc[nH]3)cc2[nH]1)c1nc2ccc(-c3ncc[nH]3)cc2[nH]1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole?
The InChIKey is ADAQCYQUZQZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8/c1-23(2,21-28-15-5-3-13(11-17(15)30-21)19-24-7-8-25-19)22-29-16-6-4-14(12-18(16)31-22)20-26-9-10-27-20/h3-12H,1-2H3,(H,24,25)(H,26,27)(H,28,30)(H,29,31).
What are the key properties of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole?
6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole has a molecular weight of 408.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 141084129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).