1-[amino(furan-2-yl)methyl]imidazol-2-amine

C8H10N4O — CID 175510836

IUPAC1-[amino(furan-2-yl)methyl]imidazol-2-amine
SMILESNc1nccn1C(N)c1ccco1
InChIInChI=1S/C8H10N4O/c9-7(6-2-1-5-13-6)12-4-3-11-8(12)10/h1-5,7H,9H2,(H2,10,11)
InChIKeyFJBVTBKGGSZCSX-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.56
Rot. Bonds2

About 1-[amino(furan-2-yl)methyl]imidazol-2-amine

1-[amino(furan-2-yl)methyl]imidazol-2-amine (PubChem CID 175510836) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-[amino(furan-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[amino(furan-2-yl)methyl]imidazol-2-amine
PubChem CID175510836
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-[amino(furan-2-yl)methyl]imidazol-2-amine
SMILESNc1nccn1C(N)c1ccco1
InChIInChI=1S/C8H10N4O/c9-7(6-2-1-5-13-6)12-4-3-11-8(12)10/h1-5,7H,9H2,(H2,10,11)
InChIKeyFJBVTBKGGSZCSX-UHFFFAOYSA-N
XLogP0.56
TPSA83.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(furan-2-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-[amino(furan-2-yl)methyl]imidazol-2-amine (CID 175510836) is 1-[amino(furan-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-[amino(furan-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-[amino(furan-2-yl)methyl]imidazol-2-amine is Nc1nccn1C(N)c1ccco1.
What is the InChIKey of 1-[amino(furan-2-yl)methyl]imidazol-2-amine?
The InChIKey is FJBVTBKGGSZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-7(6-2-1-5-13-6)12-4-3-11-8(12)10/h1-5,7H,9H2,(H2,10,11).
What are the key properties of 1-[amino(furan-2-yl)methyl]imidazol-2-amine?
1-[amino(furan-2-yl)methyl]imidazol-2-amine has a molecular weight of 178.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(furan-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 175510836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).