5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde

C19H14N2O2 — CID 169334844

IUPAC5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
SMILESCc1ccc2nc(-c3cccc(-c4ccc(C=O)o4)c3)[nH]c2c1
InChIInChI=1S/C19H14N2O2/c1-12-5-7-16-17(9-12)21-19(20-16)14-4-2-3-13(10-14)18-8-6-15(11-22)23-18/h2-11H,1H3,(H,20,21)
InChIKeyHTSOOAIMJMCDNH-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.61
Rot. Bonds3

About 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde

5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169334844) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
PubChem CID169334844
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
SMILESCc1ccc2nc(-c3cccc(-c4ccc(C=O)o4)c3)[nH]c2c1
InChIInChI=1S/C19H14N2O2/c1-12-5-7-16-17(9-12)21-19(20-16)14-4-2-3-13(10-14)18-8-6-15(11-22)23-18/h2-11H,1H3,(H,20,21)
InChIKeyHTSOOAIMJMCDNH-UHFFFAOYSA-N
XLogP4.61
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169335271
2-[3-(5-methylfuran-2-yl)phenyl]-1H-benzimidazole
CID 168553508
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
6-methyl-2-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674065
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672
5-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]furan-2-carbaldehyde
CID 169332740
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde (CID 169334844) is 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde is Cc1ccc2nc(-c3cccc(-c4ccc(C=O)o4)c3)[nH]c2c1.
What is the InChIKey of 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is HTSOOAIMJMCDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-12-5-7-16-17(9-12)21-19(20-16)14-4-2-3-13(10-14)18-8-6-15(11-22)23-18/h2-11H,1H3,(H,20,21).
What are the key properties of 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde?
5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 302.33 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).