2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde

C11H10N2O — CID 82405915

IUPAC2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
SMILESO=Cc1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C11H10N2O/c14-7-8-3-4-9-10(6-8)13-5-1-2-11(13)12-9/h3-4,6-7H,1-2,5H2
InChIKeyDLYKVLIMFHDMKK-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.79
Rot. Bonds1

About 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde

2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde (PubChem CID 82405915) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
PubChem CID82405915
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
SMILESO=Cc1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C11H10N2O/c14-7-8-3-4-9-10(6-8)13-5-1-2-11(13)12-9/h3-4,6-7H,1-2,5H2
InChIKeyDLYKVLIMFHDMKK-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.79
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

2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carbaldehyde
CID 82405887
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 102045736
2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine
CID 117307095
3-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-3-methylbutanoic acid
CID 117399432
4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid
CID 117362606
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 91675309
9-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole
CID 13015895
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 154700687
4-[5-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-2-hydroxy-4-methyl-1,3,2λ5-dioxaphosphetane 2-oxide
CID 145054458
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
CID 82411141
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 3567443

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde (CID 82405915) is 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde is O=Cc1ccc2nc3n(c2c1)CCC3.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde?
The InChIKey is DLYKVLIMFHDMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-7-8-3-4-9-10(6-8)13-5-1-2-11(13)12-9/h3-4,6-7H,1-2,5H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde?
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde is sourced from PubChem (CID 82405915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).