2-(3-aminophenyl)-1H-imidazol-5-ol

C9H9N3O — CID 82468148

IUPAC2-(3-aminophenyl)-1H-imidazol-5-ol
SMILESNc1cccc(-c2ncc(O)[nH]2)c1
InChIInChI=1S/C9H9N3O/c10-7-3-1-2-6(4-7)9-11-5-8(13)12-9/h1-5,13H,10H2,(H,11,12)
InChIKeyLXXRKCSQUSYBNC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.36
Rot. Bonds1

About 2-(3-aminophenyl)-1H-imidazol-5-ol

2-(3-aminophenyl)-1H-imidazol-5-ol (PubChem CID 82468148) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-(3-aminophenyl)-1H-imidazol-5-ol
PubChem CID82468148
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(3-aminophenyl)-1H-imidazol-5-ol
SMILESNc1cccc(-c2ncc(O)[nH]2)c1
InChIInChI=1S/C9H9N3O/c10-7-3-1-2-6(4-7)9-11-5-8(13)12-9/h1-5,13H,10H2,(H,11,12)
InChIKeyLXXRKCSQUSYBNC-UHFFFAOYSA-N
XLogP1.36
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-propyl-1H-imidazol-2-yl)aniline
CID 116877695
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137
3-(3-aminophenyl)aniline;sulfane
CID 175159845
5-(3-aminophenyl)-1H-pyrazin-2-one
CID 67016956
3-[5-(4-hydroxyphenyl)-1H-imidazol-2-yl]phenol
CID 25192186
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
6-(3-aminophenyl)pyridine-3-carboxamide
CID 174708231
2-phenyl-1H-imidazol-5-amine
CID 14960439
3-pyrimidin-5-ylaniline
CID 7162049
2-(3-fluorophenyl)-5-hydroxy-1H-pyrimidin-6-one
CID 118714566
4-(3-aminophenyl)pyrimidin-2-amine
CID 55250731

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1H-imidazol-5-ol?
The IUPAC name of 2-(3-aminophenyl)-1H-imidazol-5-ol (CID 82468148) is 2-(3-aminophenyl)-1H-imidazol-5-ol.
What is the SMILES notation for 2-(3-aminophenyl)-1H-imidazol-5-ol?
The canonical SMILES for 2-(3-aminophenyl)-1H-imidazol-5-ol is Nc1cccc(-c2ncc(O)[nH]2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1H-imidazol-5-ol?
The InChIKey is LXXRKCSQUSYBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-7-3-1-2-6(4-7)9-11-5-8(13)12-9/h1-5,13H,10H2,(H,11,12).
What are the key properties of 2-(3-aminophenyl)-1H-imidazol-5-ol?
2-(3-aminophenyl)-1H-imidazol-5-ol has a molecular weight of 175.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1H-imidazol-5-ol is sourced from PubChem (CID 82468148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).