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N-(3-Phenylpropyl)-1H-Imidazole-1-Carboxamide

HCID 11368189
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NCCCc1ccccc1)n1ccnc1
InChIKey
QZXDSTVVCZTDKK-UHFFFAOYSA-N
Molecular formula
C13H15N3O
Average molar mass
229.28 g/mol

Names & identifiers

Preferred name
N-(3-Phenylpropyl)-1H-Imidazole-1-Carboxamide
IUPAC
N-(3-phenylpropyl)imidazole-1-carboxamide

Names & synonyms

SCHEMBL5859633QZXDSTVVCZTDKK-UHFFFAOYSA-NAKOS005931507N-(3-Phenylpropyl)-1H-Imidazole-1-Carboxamide

Database identifiers

PubChem CID
11368189

Properties

Computed structural properties

XLogP
2
Topological polar surface area
46.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
239

Related reactions

5 records
New reaction record
HRID 719751 reaction equation
HRID 719751As productuspto-grants-2006_11
HRID 719752 reaction equation
HRID 719752As reactantuspto-grants-2006_11
HRID 1555831 reaction equation
HRID 1555831As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1831841 reaction equation
HRID 1831841As productuspto-grants-2006_06
HRID 1831842 reaction equation
HRID 1831842As reactantuspto-grants-2006_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes