1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine

C8H11N3 — CID 141374318

IUPAC1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1C1C=CC=C1
InChIInChI=1S/C8H11N3/c9-8-10-5-6-11(8)7-3-1-2-4-7/h1-4,7H,5-6H2,(H2,9,10)
InChIKeyOIAWOBRBRBSNNT-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.11
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine

1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine (PubChem CID 141374318) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine
PubChem CID141374318
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1C1C=CC=C1
InChIInChI=1S/C8H11N3/c9-8-10-5-6-11(8)7-3-1-2-4-7/h1-4,7H,5-6H2,(H2,9,10)
InChIKeyOIAWOBRBRBSNNT-UHFFFAOYSA-N
XLogP0.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
CID 162358256
1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
CID 162358298
1,3-Di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazol-1-ium
CID 100943451
1-Cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazole
CID 129822674

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine (CID 141374318) is 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine is NC1=NCCN1C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is OIAWOBRBRBSNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-8-10-5-6-11(8)7-3-1-2-4-7/h1-4,7H,5-6H2,(H2,9,10).
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine?
1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 149.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 141374318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).