2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde

C13H12N2O — CID 21239445

IUPAC2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde
SMILESCc1cc2n(C)c3ccccc3n2c1C=O
InChIInChI=1S/C13H12N2O/c1-9-7-13-14(2)10-5-3-4-6-11(10)15(13)12(9)8-16/h3-8H,1-2H3
InChIKeySUQMMFKQCKTFML-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.55
Rot. Bonds1

About 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde

2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde (PubChem CID 21239445) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde
PubChem CID21239445
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde
SMILESCc1cc2n(C)c3ccccc3n2c1C=O
InChIInChI=1S/C13H12N2O/c1-9-7-13-14(2)10-5-3-4-6-11(10)15(13)12(9)8-16/h3-8H,1-2H3
InChIKeySUQMMFKQCKTFML-UHFFFAOYSA-N
XLogP2.55
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.55
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

1,3,4-trimethylindole-2-carbaldehyde
CID 105442636
1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde
CID 84679810
7,10-dimethylindolo[1,2-a]benzimidazole
CID 126746850
9-methylcarbazole-2-carbaldehyde
CID 3152662
1-methyl-3-pent-4-enylindole-2-carbaldehyde
CID 16723386
1-benzyl-3,5-dimethylpyrrole-2-carbaldehyde
CID 20620924
1-ethenyl-2,4-dimethylimidazo[1,2-a]benzimidazole
CID 134484836
2-(1,4-dimethylindol-2-yl)acetaldehyde
CID 117194342
3-[(Z)-3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)prop-1-enyl]-2,6-dimethylpyrrolo[1,2-c]quinazolin-5-one
CID 163923162
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
CID 82501585
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
10-chloro-5-methylindolo[1,2-a]quinoxalin-6-one
CID 162410918

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde?
The IUPAC name of 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde (CID 21239445) is 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde.
What is the SMILES notation for 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde?
The canonical SMILES for 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde is Cc1cc2n(C)c3ccccc3n2c1C=O.
What is the InChIKey of 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde?
The InChIKey is SUQMMFKQCKTFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-7-13-14(2)10-5-3-4-6-11(10)15(13)12(9)8-16/h3-8H,1-2H3.
What are the key properties of 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde?
2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrrolo[1,2-a]benzimidazole-1-carbaldehyde is sourced from PubChem (CID 21239445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).