1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine

C13H15Cl2N3O — CID 106560326

IUPAC1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-19-9-3-6-16-13-17-7-8-18(13)11-5-2-4-10(14)12(11)15/h2,4-5,7-8H,3,6,9H2,1H3,(H,16,17)
InChIKeyKDCBLYMWGNMEBR-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.63
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine

1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106560326) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106560326
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-19-9-3-6-16-13-17-7-8-18(13)11-5-2-4-10(14)12(11)15/h2,4-5,7-8H,3,6,9H2,1H3,(H,16,17)
InChIKeyKDCBLYMWGNMEBR-UHFFFAOYSA-N
XLogP3.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106582958
N-(2-methoxyethyl)-1-[2-(2-methoxyethyl)phenyl]imidazol-2-amine
CID 106582959
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 107605184
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787
1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106566922
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106580686
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine (CID 106560326) is 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is KDCBLYMWGNMEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-19-9-3-6-16-13-17-7-8-18(13)11-5-2-4-10(14)12(11)15/h2,4-5,7-8H,3,6,9H2,1H3,(H,16,17).
What are the key properties of 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine?
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 300.19 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106560326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).