[4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine

C11H15N3 — CID 71122963

IUPAC[4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine
SMILESCN1C=CN(c2ccc(CN)cc2)C1
InChIInChI=1S/C11H15N3/c1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11/h2-7H,8-9,12H2,1H3
InChIKeyNTOSTBPMCNFWIY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.33
Rot. Bonds2

About [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine

[4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine (PubChem CID 71122963) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine
PubChem CID71122963
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name[4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine
SMILESCN1C=CN(c2ccc(CN)cc2)C1
InChIInChI=1S/C11H15N3/c1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11/h2-7H,8-9,12H2,1H3
InChIKeyNTOSTBPMCNFWIY-UHFFFAOYSA-N
XLogP1.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine (CID 71122963) is [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine is CN1C=CN(c2ccc(CN)cc2)C1.
What is the InChIKey of [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine?
The InChIKey is NTOSTBPMCNFWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11/h2-7H,8-9,12H2,1H3.
What are the key properties of [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine?
[4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine has a molecular weight of 189.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-2H-imidazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 71122963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).