2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole

C6H7N3 — CID 59701340

IUPAC2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole
SMILESCc1nc2c([nH]1)=CCN=2
InChIInChI=1S/C6H7N3/c1-4-8-5-2-3-7-6(5)9-4/h2H,3H2,1H3,(H,7,8,9)
InChIKeyDVADQKQXBDULBL-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.87
Rot. Bonds

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

2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole (PubChem CID 59701340) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole.

Molecular Properties

Compound Name2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole
PubChem CID59701340
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole
SMILESCc1nc2c([nH]1)=CCN=2
InChIInChI=1S/C6H7N3/c1-4-8-5-2-3-7-6(5)9-4/h2H,3H2,1H3,(H,7,8,9)
InChIKeyDVADQKQXBDULBL-UHFFFAOYSA-N
XLogP-0.87
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole?
The IUPAC name of 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole (CID 59701340) is 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole.
What is the SMILES notation for 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole?
The canonical SMILES for 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole is Cc1nc2c([nH]1)=CCN=2.
What is the InChIKey of 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole?
The InChIKey is DVADQKQXBDULBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-4-8-5-2-3-7-6(5)9-4/h2H,3H2,1H3,(H,7,8,9).
What are the key properties of 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole?
2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole has a molecular weight of 121.14 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-dihydropyrrolo[2,3-d]imidazole is sourced from PubChem (CID 59701340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).