1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine

C11H13Cl2N3 — CID 135386343

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3/c12-9-2-1-8(7-10(9)13)3-5-16-6-4-15-11(16)14/h1-2,7H,3-6H2,(H2,14,15)
InChIKeyOUFHVFWSCOOLNY-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine

1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 135386343) has the molecular formula C11H13Cl2N3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID135386343
Molecular FormulaC11H13Cl2N3
Molecular Weight258.15 g/mol
Exact Mass257.05
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3/c12-9-2-1-8(7-10(9)13)3-5-16-6-4-15-11(16)14/h1-2,7H,3-6H2,(H2,14,15)
InChIKeyOUFHVFWSCOOLNY-UHFFFAOYSA-N
XLogP2.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (CID 135386343) is 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is NC1=NCCN1CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is OUFHVFWSCOOLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3/c12-9-2-1-8(7-10(9)13)3-5-16-6-4-15-11(16)14/h1-2,7H,3-6H2,(H2,14,15).
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 258.15 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135386343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).