2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde

C9H7ClN2O2 — CID 83834899

IUPAC2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(=O)[nH]c2c(Cl)cccc21
InChIInChI=1S/C9H7ClN2O2/c10-6-2-1-3-7-8(6)11-9(14)12(7)4-5-13/h1-3,5H,4H2,(H,11,14)
InChIKeyQGQUUWLYJGTXSA-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.18
Rot. Bonds2

About 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde

2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde (PubChem CID 83834899) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
PubChem CID83834899
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(=O)[nH]c2c(Cl)cccc21
InChIInChI=1S/C9H7ClN2O2/c10-6-2-1-3-7-8(6)11-9(14)12(7)4-5-13/h1-3,5H,4H2,(H,11,14)
InChIKeyQGQUUWLYJGTXSA-UHFFFAOYSA-N
XLogP1.18
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.18
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-(2-fluorophenyl)-2-oxo-3H-benzimidazol-1-yl]acetaldehyde
CID 58710672
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117206660
7-chloro-3-[(1,1-dioxothian-3-yl)methyl]-1H-benzimidazol-2-one
CID 117206543
3-benzyl-7-chloro-1H-benzimidazole-2-thione
CID 104836133
7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117206889
7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117206604
3-(3-aminopropyl)-8-chloro-1H-quinazoline-2,4-dione
CID 117263361
2-(3-benzyl-7-methyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710682
7-chloro-3-(2,3-dimethylbutyl)-1H-benzimidazole-2-thione
CID 104836514
5-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)pentanamide
CID 106235969
7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 113458929
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde (CID 83834899) is 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde is O=CCn1c(=O)[nH]c2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
The InChIKey is QGQUUWLYJGTXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-6-2-1-3-7-8(6)11-9(14)12(7)4-5-13/h1-3,5H,4H2,(H,11,14).
What are the key properties of 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde?
2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde has a molecular weight of 210.62 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 83834899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).