1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol

C12H14N4O — CID 122472489

IUPAC1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol
SMILESC=C(O)Nc1ccc(-c2cnc(C)[nH]2)c(N)c1
InChIInChI=1S/C12H14N4O/c1-7-14-6-12(15-7)10-4-3-9(5-11(10)13)16-8(2)17/h3-6,16-17H,2,13H2,1H3,(H,14,15)
InChIKeyKPFJRFWJRPIUOM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.41
Rot. Bonds3

About 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol

1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol (PubChem CID 122472489) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol.

Molecular Properties

Compound Name1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol
PubChem CID122472489
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol
SMILESC=C(O)Nc1ccc(-c2cnc(C)[nH]2)c(N)c1
InChIInChI=1S/C12H14N4O/c1-7-14-6-12(15-7)10-4-3-9(5-11(10)13)16-8(2)17/h3-6,16-17H,2,13H2,1H3,(H,14,15)
InChIKeyKPFJRFWJRPIUOM-UHFFFAOYSA-N
XLogP2.41
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline
CID 167066939
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
CID 110735606
5-methyl-8-(2-methyl-1H-imidazol-5-yl)isoquinoline
CID 145019270
1-[4-amino-3-(trifluoromethyl)anilino]ethenol
CID 143635678
ethane;2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen
CID 144594165
[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 105442686
1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
CID 110749218
2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
CID 110467556
6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 57192284
2-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;molecular hydrogen;propane
CID 144633691
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110735545

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol?
The IUPAC name of 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol (CID 122472489) is 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol.
What is the SMILES notation for 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol?
The canonical SMILES for 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol is C=C(O)Nc1ccc(-c2cnc(C)[nH]2)c(N)c1.
What is the InChIKey of 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol?
The InChIKey is KPFJRFWJRPIUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-14-6-12(15-7)10-4-3-9(5-11(10)13)16-8(2)17/h3-6,16-17H,2,13H2,1H3,(H,14,15).
What are the key properties of 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol?
1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol has a molecular weight of 230.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(2-methyl-1H-imidazol-5-yl)anilino]ethenol is sourced from PubChem (CID 122472489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).