5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole

C7H11N3 — CID 126746270

IUPAC5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
SMILESC1=CC(C2CN=CN2)NC1
InChIInChI=1S/C7H11N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-2,5-7,9H,3-4H2,(H,8,10)
InChIKeySYKIVMKFLUAUIG-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.49
Rot. Bonds1

About 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole

5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 126746270) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID126746270
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
SMILESC1=CC(C2CN=CN2)NC1
InChIInChI=1S/C7H11N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-2,5-7,9H,3-4H2,(H,8,10)
InChIKeySYKIVMKFLUAUIG-UHFFFAOYSA-N
XLogP-0.49
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-fluoroethenyl]-5-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 89120906
3a,4,5,7a-Tetrahydro-1h-benzo[d]imidazole
CID 177256753
3a,7a-dihydro-1H-benzimidazole
CID 15762978
5-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 54061390
N-cyclopent-2-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
CID 141029351
5-ethenyl-4-[(Z)-prop-1-enyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 144094904
3a,7a-dihydro-1H-benzimidazole;molecular hydrogen
CID 144272358
CID 145233282
CID 145233282
5-(5-imidazolidin-2-yl-2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole
CID 166738531
3-(4,5-Dihydroimidazol-1-yl)pent-4-en-1-amine
CID 174908408
5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 143686132
5-ethenyl-4-[(Z)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 144094905

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole (CID 126746270) is 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole is C1=CC(C2CN=CN2)NC1.
What is the InChIKey of 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is SYKIVMKFLUAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-2,5-7,9H,3-4H2,(H,8,10).
What are the key properties of 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole?
5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 137.19 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydro-1H-pyrrol-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 126746270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).