2-(1-ethylbenzimidazol-2-yl)acetaldehyde

C11H12N2O — CID 79753358

IUPAC2-(1-ethylbenzimidazol-2-yl)acetaldehyde
SMILESCCn1c(CC=O)nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-13-10-6-4-3-5-9(10)12-11(13)7-8-14/h3-6,8H,2,7H2,1H3
InChIKeyXHEIYIHGJVFPDA-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-ethylbenzimidazol-2-yl)acetaldehyde

2-(1-ethylbenzimidazol-2-yl)acetaldehyde (PubChem CID 79753358) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)acetaldehyde
PubChem CID79753358
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(1-ethylbenzimidazol-2-yl)acetaldehyde
SMILESCCn1c(CC=O)nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-13-10-6-4-3-5-9(10)12-11(13)7-8-14/h3-6,8H,2,7H2,1H3
InChIKeyXHEIYIHGJVFPDA-UHFFFAOYSA-N
XLogP1.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde
CID 106886542
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)acetaldehyde?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)acetaldehyde (CID 79753358) is 2-(1-ethylbenzimidazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)acetaldehyde is CCn1c(CC=O)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)acetaldehyde?
The InChIKey is XHEIYIHGJVFPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-13-10-6-4-3-5-9(10)12-11(13)7-8-14/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)acetaldehyde?
2-(1-ethylbenzimidazol-2-yl)acetaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)acetaldehyde is sourced from PubChem (CID 79753358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).