2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde

C15H12N2O2 — CID 84756453

IUPAC2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
SMILESCOc1cccc(-c2nc3ccc(C=O)cc3[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-4-2-3-11(8-12)15-16-13-6-5-10(9-18)7-14(13)17-15/h2-9H,1H3,(H,16,17)
InChIKeyGZBPQVMMCAXYAJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.05
Rot. Bonds3

About 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde

2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde (PubChem CID 84756453) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
PubChem CID84756453
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
SMILESCOc1cccc(-c2nc3ccc(C=O)cc3[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-4-2-3-11(8-12)15-16-13-6-5-10(9-18)7-14(13)17-15/h2-9H,1H3,(H,16,17)
InChIKeyGZBPQVMMCAXYAJ-UHFFFAOYSA-N
XLogP3.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.05
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

2-(4-amino-3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756504
2-(3,4-dimethylphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756456
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
2-[1,2-dihydroxy-2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carbaldehyde
CID 21026309
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
2-[3-(1,2,2-trifluoroethenoxy)phenyl]-6-[2-[3-(1,2,2-trifluoroethenoxy)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 25111994
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde?
The IUPAC name of 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde (CID 84756453) is 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde?
The canonical SMILES for 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde is COc1cccc(-c2nc3ccc(C=O)cc3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde?
The InChIKey is GZBPQVMMCAXYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-4-2-3-11(8-12)15-16-13-6-5-10(9-18)7-14(13)17-15/h2-9H,1H3,(H,16,17).
What are the key properties of 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde?
2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde is sourced from PubChem (CID 84756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).