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

C11H13N3O — CID 115023017

IUPAC2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol
SMILESCc1ncc(-c2ccc(O)c(CN)c2)[nH]1
InChIInChI=1S/C11H13N3O/c1-7-13-6-10(14-7)8-2-3-11(15)9(4-8)5-12/h2-4,6,15H,5,12H2,1H3,(H,13,14)
InChIKeyYICCBRHGSHRCQW-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.55
Rot. Bonds2

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

2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol (PubChem CID 115023017) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol
PubChem CID115023017
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol
SMILESCc1ncc(-c2ccc(O)c(CN)c2)[nH]1
InChIInChI=1S/C11H13N3O/c1-7-13-6-10(14-7)8-2-3-11(15)9(4-8)5-12/h2-4,6,15H,5,12H2,1H3,(H,13,14)
InChIKeyYICCBRHGSHRCQW-UHFFFAOYSA-N
XLogP1.55
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
CID 115029246
[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 105442686
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
5-(3-bromo-4-methylphenyl)-2-methyl-1H-imidazole
CID 58170463
2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
CID 12986051
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
4-(2-methyl-1H-imidazol-5-yl)-2-methylsulfonylaniline
CID 166047876
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 59598048
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol?
The IUPAC name of 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol (CID 115023017) is 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol?
The canonical SMILES for 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol is Cc1ncc(-c2ccc(O)c(CN)c2)[nH]1.
What is the InChIKey of 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol?
The InChIKey is YICCBRHGSHRCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-13-6-10(14-7)8-2-3-11(15)9(4-8)5-12/h2-4,6,15H,5,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol?
2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol has a molecular weight of 203.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol is sourced from PubChem (CID 115023017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).