N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine

C10H9Cl2N3 — CID 24955276

IUPACN-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
SMILESClc1ccc(CNc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-5H,6H2,(H2,13,14,15)
InChIKeyLRJXQVYGZFFMBB-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.33
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine

N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine (PubChem CID 24955276) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
PubChem CID24955276
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
SMILESClc1ccc(CNc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-5H,6H2,(H2,13,14,15)
InChIKeyLRJXQVYGZFFMBB-UHFFFAOYSA-N
XLogP3.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine (CID 24955276) is N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine is Clc1ccc(CNc2ncc[nH]2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
The InChIKey is LRJXQVYGZFFMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-5H,6H2,(H2,13,14,15).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine?
N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine has a molecular weight of 242.11 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 24955276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).