N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine

C12H15N3 — CID 59598048

IUPACN-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2cnc(C)[nH]2)cc1
InChIInChI=1S/C12H15N3/c1-9-14-8-12(15-9)11-5-3-10(4-6-11)7-13-2/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyPOZRIEFHESEQMK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.10
Rot. Bonds3

About N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine

N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine (PubChem CID 59598048) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
PubChem CID59598048
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2cnc(C)[nH]2)cc1
InChIInChI=1S/C12H15N3/c1-9-14-8-12(15-9)11-5-3-10(4-6-11)7-13-2/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyPOZRIEFHESEQMK-UHFFFAOYSA-N
XLogP2.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine (CID 59598048) is N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine is CNCc1ccc(-c2cnc(C)[nH]2)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
The InChIKey is POZRIEFHESEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-14-8-12(15-9)11-5-3-10(4-6-11)7-13-2/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 59598048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).