1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole

C21H18N4O — CID 58652944

IUPAC1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5n4C)o3)[nH]c2c1
InChIInChI=1S/C21H18N4O/c1-12-4-6-14-16(10-12)23-20(22-14)18-8-9-19(26-18)21-24-15-7-5-13(2)11-17(15)25(21)3/h4-11H,1-3H3,(H,22,23)
InChIKeyRSZRVTDDJXGUOI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.99
Rot. Bonds2

About 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole

1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole (PubChem CID 58652944) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole.

Molecular Properties

Compound Name1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole
PubChem CID58652944
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5n4C)o3)[nH]c2c1
InChIInChI=1S/C21H18N4O/c1-12-4-6-14-16(10-12)23-20(22-14)18-8-9-19(26-18)21-24-15-7-5-13(2)11-17(15)25(21)3/h4-11H,1-3H3,(H,22,23)
InChIKeyRSZRVTDDJXGUOI-UHFFFAOYSA-N
XLogP4.99
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674065
6-methyl-2-[5-[(2S)-oxan-2-yl]furan-2-yl]-1H-benzimidazole
CID 95190849
2-(6-methyl-1H-benzimidazol-2-yl)furo[2,3-b]pyridine
CID 167779951
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
[3-benzyl-2-[5-(1-benzyl-6-methylbenzimidazol-2-yl)furan-2-yl]benzimidazol-5-yl] sulfite;[3-benzyl-2-[4-(1-benzyl-6-sulfobenzimidazol-2-yl)phenyl]benzimidazol-5-yl] sulfite;2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]-3H-benzimidazole-5-sulfonic acid
CID 161186066
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
CID 13004842
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
2-(5-bromofuran-2-yl)-6-fluoro-1H-benzimidazole
CID 13004835
5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334844

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole?
The IUPAC name of 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole (CID 58652944) is 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole.
What is the SMILES notation for 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole?
The canonical SMILES for 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole is Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5n4C)o3)[nH]c2c1.
What is the InChIKey of 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole?
The InChIKey is RSZRVTDDJXGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-12-4-6-14-16(10-12)23-20(22-14)18-8-9-19(26-18)21-24-15-7-5-13(2)11-17(15)25(21)3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole?
1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole has a molecular weight of 342.40 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-[5-(6-methyl-1H-benzimidazol-2-yl)furan-2-yl]benzimidazole is sourced from PubChem (CID 58652944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).