1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde

C6H5N3O — CID 162810002

IUPAC1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde
SMILESO=Cc1nc2c[nH]cc2[nH]1
InChIInChI=1S/C6H5N3O/c10-3-6-8-4-1-7-2-5(4)9-6/h1-3,7H,(H,8,9)
InChIKeyYUMRYRPLNZKBKZ-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.70
Rot. Bonds1

About 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde

1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde (PubChem CID 162810002) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde
PubChem CID162810002
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde
SMILESO=Cc1nc2c[nH]cc2[nH]1
InChIInChI=1S/C6H5N3O/c10-3-6-8-4-1-7-2-5(4)9-6/h1-3,7H,(H,8,9)
InChIKeyYUMRYRPLNZKBKZ-UHFFFAOYSA-N
XLogP0.70
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-thieno[3,4-d]imidazole-2-carbaldehyde
CID 45083740
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
2-formyl-3H-benzimidazole-5-carbonyl chloride
CID 130881700
5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde
CID 131048969
5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde
CID 81136829
2-formyl-3H-benzimidazole-5-carbonitrile
CID 72942417
1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole-2-carbaldehyde
CID 63771989
6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde
CID 174870024
5H-imidazo[4,5-c]pyridazine-6-carbaldehyde
CID 112710724
2-formyl-1H-benzimidazole-4-carboxamide
CID 131216974
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
6-methoxy-1H-benzimidazole-2-carbaldehyde;quinoline
CID 174757019

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde?
The IUPAC name of 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde (CID 162810002) is 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde.
What is the SMILES notation for 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde?
The canonical SMILES for 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde is O=Cc1nc2c[nH]cc2[nH]1.
What is the InChIKey of 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde?
The InChIKey is YUMRYRPLNZKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-3-6-8-4-1-7-2-5(4)9-6/h1-3,7H,(H,8,9).
What are the key properties of 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde?
1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde has a molecular weight of 135.13 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde is sourced from PubChem (CID 162810002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).