1-(benzylamino)imidazol-4-ol

C10H11N3O — CID 69236975

IUPAC1-(benzylamino)imidazol-4-ol
SMILESOc1cn(NCc2ccccc2)cn1
InChIInChI=1S/C10H11N3O/c14-10-7-13(8-11-10)12-6-9-4-2-1-3-5-9/h1-5,7-8,12,14H,6H2
InChIKeyKJRCDCNIOYHPJZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.33
Rot. Bonds3

About 1-(benzylamino)imidazol-4-ol

1-(benzylamino)imidazol-4-ol (PubChem CID 69236975) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(benzylamino)imidazol-4-ol.

Molecular Properties

Compound Name1-(benzylamino)imidazol-4-ol
PubChem CID69236975
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(benzylamino)imidazol-4-ol
SMILESOc1cn(NCc2ccccc2)cn1
InChIInChI=1S/C10H11N3O/c14-10-7-13(8-11-10)12-6-9-4-2-1-3-5-9/h1-5,7-8,12,14H,6H2
InChIKeyKJRCDCNIOYHPJZ-UHFFFAOYSA-N
XLogP1.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)imidazol-4-ol?
The IUPAC name of 1-(benzylamino)imidazol-4-ol (CID 69236975) is 1-(benzylamino)imidazol-4-ol.
What is the SMILES notation for 1-(benzylamino)imidazol-4-ol?
The canonical SMILES for 1-(benzylamino)imidazol-4-ol is Oc1cn(NCc2ccccc2)cn1.
What is the InChIKey of 1-(benzylamino)imidazol-4-ol?
The InChIKey is KJRCDCNIOYHPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10-7-13(8-11-10)12-6-9-4-2-1-3-5-9/h1-5,7-8,12,14H,6H2.
What are the key properties of 1-(benzylamino)imidazol-4-ol?
1-(benzylamino)imidazol-4-ol has a molecular weight of 189.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)imidazol-4-ol is sourced from PubChem (CID 69236975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).