(2-imidazol-1-ylphenyl)methanamine

C10H11N3 — CID 3161671

IUPAC(2-imidazol-1-ylphenyl)methanamine
SMILESNCc1ccccc1-n1ccnc1
InChIInChI=1S/C10H11N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H,7,11H2
InChIKeyJHDMBRSDCFLSTD-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.33
Rot. Bonds2

About (2-imidazol-1-ylphenyl)methanamine

(2-imidazol-1-ylphenyl)methanamine (PubChem CID 3161671) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2-imidazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-imidazol-1-ylphenyl)methanamine
PubChem CID3161671
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(2-imidazol-1-ylphenyl)methanamine
SMILESNCc1ccccc1-n1ccnc1
InChIInChI=1S/C10H11N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H,7,11H2
InChIKeyJHDMBRSDCFLSTD-UHFFFAOYSA-N
XLogP1.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-ylphenyl)methanamine?
The IUPAC name of (2-imidazol-1-ylphenyl)methanamine (CID 3161671) is (2-imidazol-1-ylphenyl)methanamine.
What is the SMILES notation for (2-imidazol-1-ylphenyl)methanamine?
The canonical SMILES for (2-imidazol-1-ylphenyl)methanamine is NCc1ccccc1-n1ccnc1.
What is the InChIKey of (2-imidazol-1-ylphenyl)methanamine?
The InChIKey is JHDMBRSDCFLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H,7,11H2.
What are the key properties of (2-imidazol-1-ylphenyl)methanamine?
(2-imidazol-1-ylphenyl)methanamine has a molecular weight of 173.22 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 (2-imidazol-1-ylphenyl)methanamine is sourced from PubChem (CID 3161671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).