2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid

C8H9N3O2 — CID 82409703

IUPAC2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid
SMILESCc1nc2c(cc(C(=O)O)n2C)[nH]1
InChIInChI=1S/C8H9N3O2/c1-4-9-5-3-6(8(12)13)11(2)7(5)10-4/h3H,1-2H3,(H,9,10)(H,12,13)
InChIKeyNMCANTXIXOHKOE-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.91
Rot. Bonds1

About 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid

2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid (PubChem CID 82409703) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid
PubChem CID82409703
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid
SMILESCc1nc2c(cc(C(=O)O)n2C)[nH]1
InChIInChI=1S/C8H9N3O2/c1-4-9-5-3-6(8(12)13)11(2)7(5)10-4/h3H,1-2H3,(H,9,10)(H,12,13)
InChIKeyNMCANTXIXOHKOE-UHFFFAOYSA-N
XLogP0.91
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid (CID 82409703) is 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid is Cc1nc2c(cc(C(=O)O)n2C)[nH]1.
What is the InChIKey of 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid?
The InChIKey is NMCANTXIXOHKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-9-5-3-6(8(12)13)11(2)7(5)10-4/h3H,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid?
2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1H-pyrrolo[2,3-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 82409703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).