2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde

C10H10N2O3 — CID 83833187

IUPAC2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
SMILESCOc1ccc2c(c1)[nH]c(=O)n2CC=O
InChIInChI=1S/C10H10N2O3/c1-15-7-2-3-9-8(6-7)11-10(14)12(9)4-5-13/h2-3,5-6H,4H2,1H3,(H,11,14)
InChIKeyQHDWFSSIBLRXNH-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.54
Rot. Bonds3

About 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde

2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde (PubChem CID 83833187) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
PubChem CID83833187
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
SMILESCOc1ccc2c(c1)[nH]c(=O)n2CC=O
InChIInChI=1S/C10H10N2O3/c1-15-7-2-3-9-8(6-7)11-10(14)12(9)4-5-13/h2-3,5-6H,4H2,1H3,(H,11,14)
InChIKeyQHDWFSSIBLRXNH-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
3-[(1,1-dioxothian-4-yl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207139
6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207108
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
CID 59397837
3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one
CID 141405992
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde (CID 83833187) is 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde is COc1ccc2c(c1)[nH]c(=O)n2CC=O.
What is the InChIKey of 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
The InChIKey is QHDWFSSIBLRXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-7-2-3-9-8(6-7)11-10(14)12(9)4-5-13/h2-3,5-6H,4H2,1H3,(H,11,14).
What are the key properties of 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde has a molecular weight of 206.20 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 83833187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).