2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol

C10H11N3O — CID 115017751

IUPAC2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]cnc1-c1ccc(O)c(N)c1
InChIInChI=1S/C10H11N3O/c1-6-10(13-5-12-6)7-2-3-9(14)8(11)4-7/h2-5,14H,11H2,1H3,(H,12,13)
InChIKeyZXFBKMHBQBDXJW-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.67
Rot. Bonds1

About 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol

2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol (PubChem CID 115017751) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol
PubChem CID115017751
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]cnc1-c1ccc(O)c(N)c1
InChIInChI=1S/C10H11N3O/c1-6-10(13-5-12-6)7-2-3-9(14)8(11)4-7/h2-5,14H,11H2,1H3,(H,12,13)
InChIKeyZXFBKMHBQBDXJW-UHFFFAOYSA-N
XLogP1.67
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol?
The IUPAC name of 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol (CID 115017751) is 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol is Cc1[nH]cnc1-c1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol?
The InChIKey is ZXFBKMHBQBDXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-10(13-5-12-6)7-2-3-9(14)8(11)4-7/h2-5,14H,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol?
2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 115017751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).