1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine

C16H15Cl2N3 — CID 71723001

IUPAC1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESClc1cccc(Cl)c1NC1=NCCN1Cc1ccccc1
InChIInChI=1S/C16H15Cl2N3/c17-13-7-4-8-14(18)15(13)20-16-19-9-10-21(16)11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyFKBQZZQCZHUTCG-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.28
Rot. Bonds3

About 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine

1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 71723001) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID71723001
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESClc1cccc(Cl)c1NC1=NCCN1Cc1ccccc1
InChIInChI=1S/C16H15Cl2N3/c17-13-7-4-8-14(18)15(13)20-16-19-9-10-21(16)11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyFKBQZZQCZHUTCG-UHFFFAOYSA-N
XLogP4.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine (CID 71723001) is 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine is Clc1cccc(Cl)c1NC1=NCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FKBQZZQCZHUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c17-13-7-4-8-14(18)15(13)20-16-19-9-10-21(16)11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine?
1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 320.22 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 71723001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).