1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-amine

HCID 24252558

Notes Reactions

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Basic information

Standard SMILES: CC(N)c1nc2ccc(Cl)cc2[nH]1
InChIKey: CJBPHHBATSLCHJ-UHFFFAOYSA-N
Molecular formula: C9H10ClN3
Average molar mass: 195.65 g/mol

Names & identifiers

Preferred name: 1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-amine
IUPAC: 1-(6-chloro-1H-benzimidazol-2-yl)ethanamine

Names & synonyms

185949-58-01-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-amine1-(6-chloro-1H-benzimidazol-2-yl)ethanamine1H-Benzimidazole-2-methanamine,5-chloro-alpha-methyl-(9CI)1-(5-chloro-1H-benzo[d]imidazol-2-yl)ethanamineMFCD098818422-(1-Aminoethyl)-5-chlorobenzimidazole2-(1-Aminoethyl)-5-chloro-1H-benzimidazole1-(5-Chloro-1H-benzimidazol-2-yl)ethylamineSCHEMBL1479636SCHEMBL5100681CJBPHHBATSLCHJ-UHFFFAOYSA-N

Show more names

KHA94958AKOS0092340031-(5-chlorobenzimidazol-2-yl)ethylamineAS-70611CS-0260407EN300-75105rac.-1-(5-chlorobenzimidazol-2-yl)ethylamineW19013

Database identifiers

PubChem CID: 24252558

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 188

Related reactions

6 records

New reaction record

HRID 694547As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1126224As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2053751As productuspto-grants-2008_02

HRID 2053765As reactantuspto-grants-2008_02

HRID 2053767As reactantuspto-grants-2008_02

HRID 2331909As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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