2-amino-1-(benzylamino)imidazol-4-ol

C10H12N4O — CID 69239628

IUPAC2-amino-1-(benzylamino)imidazol-4-ol
SMILESNc1nc(O)cn1NCc1ccccc1
InChIInChI=1S/C10H12N4O/c11-10-13-9(15)7-14(10)12-6-8-4-2-1-3-5-8/h1-5,7,12,15H,6H2,(H2,11,13)
InChIKeyVIIPKISFJMETGJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.91
Rot. Bonds3

About 2-amino-1-(benzylamino)imidazol-4-ol

2-amino-1-(benzylamino)imidazol-4-ol (PubChem CID 69239628) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-1-(benzylamino)imidazol-4-ol.

Molecular Properties

Compound Name2-amino-1-(benzylamino)imidazol-4-ol
PubChem CID69239628
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-amino-1-(benzylamino)imidazol-4-ol
SMILESNc1nc(O)cn1NCc1ccccc1
InChIInChI=1S/C10H12N4O/c11-10-13-9(15)7-14(10)12-6-8-4-2-1-3-5-8/h1-5,7,12,15H,6H2,(H2,11,13)
InChIKeyVIIPKISFJMETGJ-UHFFFAOYSA-N
XLogP0.91
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzylimidazol-1-amine
CID 23018211
1-Benzylimidazol-4-ol
CID 54394048
1-Benzyl-2-methylimidazol-4-ol
CID 54554328
3-Anilino-2-phenylimidazol-4-ol
CID 57176555
1-N-benzylimidazole-1,4-diamine
CID 69235507
1-N-benzylimidazole-1,2,4-triamine
CID 69235807
1-(Benzylamino)imidazol-4-ol
CID 69236975
1-Anilinoimidazol-4-ol
CID 69238100
2-Amino-1-anilinoimidazol-4-ol
CID 69238618
1-N-benzylimidazole-1,2,5-triamine
CID 69238999
N-(2-phenylethyl)imidazol-1-amine
CID 145803994
N-benzylimidazol-1-amine;hydrochloride
CID 174446531

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(benzylamino)imidazol-4-ol?
The IUPAC name of 2-amino-1-(benzylamino)imidazol-4-ol (CID 69239628) is 2-amino-1-(benzylamino)imidazol-4-ol.
What is the SMILES notation for 2-amino-1-(benzylamino)imidazol-4-ol?
The canonical SMILES for 2-amino-1-(benzylamino)imidazol-4-ol is Nc1nc(O)cn1NCc1ccccc1.
What is the InChIKey of 2-amino-1-(benzylamino)imidazol-4-ol?
The InChIKey is VIIPKISFJMETGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-10-13-9(15)7-14(10)12-6-8-4-2-1-3-5-8/h1-5,7,12,15H,6H2,(H2,11,13).
What are the key properties of 2-amino-1-(benzylamino)imidazol-4-ol?
2-amino-1-(benzylamino)imidazol-4-ol has a molecular weight of 204.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(benzylamino)imidazol-4-ol is sourced from PubChem (CID 69239628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).