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C-(5-methyl-2-phenyl-1H-imidazol-4-yl)-methylamine

HCID 22563473
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1[nH]c(-c2ccccc2)nc1CN
InChIKey
CJJQMFXKJJNAIT-UHFFFAOYSA-N
Molecular formula
C11H13N3
Average molar mass
187.24 g/mol
Monoisotopic mass
187.11094743

Names & identifiers

Preferred name
C-(5-methyl-2-phenyl-1H-imidazol-4-yl)-methylamine
IUPAC
(5-methyl-2-phenyl-1H-imidazol-4-yl)methanamine

Names & synonyms

SCHEMBL1436137CJJQMFXKJJNAIT-UHFFFAOYSA-NC-(5-methyl-2-phenyl-1H -imidazol-4-yl)-methylamineC-(5-methyl-2-phenyl-1H-imidazol-4-yl)-methylamine

Database identifiers

PubChem CID
22563473

Properties

Computed structural properties

XLogP
1
Topological polar surface area
54.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
177

Related reactions

5 records
New reaction record
HRID 93726 reaction equation
HRID 93726As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 982846 reaction equation
HRID 982846As productuspto-grants-2005_03
HRID 1137758 reaction equation
HRID 1137758As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1716554 reaction equation
HRID 1716554As productuspto-grants-2010_09
HRID 2249607 reaction equation
HRID 2249607As productuspto-grants-2008_01

Compound notes

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