3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine

C16H13Cl2N3 — CID 62017945

IUPAC3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine
SMILESNc1c(-c2cccc(Cl)c2Cl)ncn1Cc1ccccc1
InChIInChI=1S/C16H13Cl2N3/c17-13-8-4-7-12(14(13)18)15-16(19)21(10-20-15)9-11-5-2-1-3-6-11/h1-8,10H,9,19H2
InChIKeyBRZVFHKCEIJYQD-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.49
Rot. Bonds3

About 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine

3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine (PubChem CID 62017945) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine
PubChem CID62017945
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine
SMILESNc1c(-c2cccc(Cl)c2Cl)ncn1Cc1ccccc1
InChIInChI=1S/C16H13Cl2N3/c17-13-8-4-7-12(14(13)18)15-16(19)21(10-20-15)9-11-5-2-1-3-6-11/h1-8,10H,9,19H2
InChIKeyBRZVFHKCEIJYQD-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine?
The IUPAC name of 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine (CID 62017945) is 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine is Nc1c(-c2cccc(Cl)c2Cl)ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine?
The InChIKey is BRZVFHKCEIJYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-13-8-4-7-12(14(13)18)15-16(19)21(10-20-15)9-11-5-2-1-3-6-11/h1-8,10H,9,19H2.
What are the key properties of 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine?
3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine has a molecular weight of 318.21 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine is sourced from PubChem (CID 62017945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).