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

C13H15N3O — CID 115037204

IUPAC2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]c(C2CC2)nc1-c1ccc(O)c(N)c1
InChIInChI=1S/C13H15N3O/c1-7-12(16-13(15-7)8-2-3-8)9-4-5-11(17)10(14)6-9/h4-6,8,17H,2-3,14H2,1H3,(H,15,16)
InChIKeyGVGFKJYOBRVAJI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.55
Rot. Bonds2

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

2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol (PubChem CID 115037204) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol
PubChem CID115037204
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]c(C2CC2)nc1-c1ccc(O)c(N)c1
InChIInChI=1S/C13H15N3O/c1-7-12(16-13(15-7)8-2-3-8)9-4-5-11(17)10(14)6-9/h4-6,8,17H,2-3,14H2,1H3,(H,15,16)
InChIKeyGVGFKJYOBRVAJI-UHFFFAOYSA-N
XLogP2.55
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.55
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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Related Compounds

4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
CID 115023925
4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105486703
2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol
CID 115017751
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
CID 115023924
2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol
CID 135755462
4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413947
tert-butyl 4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 90169799
2-cyclopropyl-4-ethyl-5-methyl-1H-imidazole
CID 123293833
2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine
CID 83697347
4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 45218761
2-(4-methoxycyclohexyl)-5-methyl-4-(2-methylphenyl)-1H-imidazole
CID 141388636

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol?
The IUPAC name of 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol (CID 115037204) is 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol is Cc1[nH]c(C2CC2)nc1-c1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol?
The InChIKey is GVGFKJYOBRVAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-7-12(16-13(15-7)8-2-3-8)9-4-5-11(17)10(14)6-9/h4-6,8,17H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol?
2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol has a molecular weight of 229.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 115037204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).