1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine

C12H13Cl2N3 — CID 42656322

IUPAC1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nccn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-15-7-12-16-4-5-17(12)8-9-2-3-10(13)11(14)6-9/h2-6,15H,7-8H2,1H3
InChIKeyPIFYZFZBRTUKDL-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.96
Rot. Bonds4

About 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine

1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine (PubChem CID 42656322) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
PubChem CID42656322
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nccn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-15-7-12-16-4-5-17(12)8-9-2-3-10(13)11(14)6-9/h2-6,15H,7-8H2,1H3
InChIKeyPIFYZFZBRTUKDL-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine 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 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine (CID 42656322) is 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine is CNCc1nccn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine?
The InChIKey is PIFYZFZBRTUKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-15-7-12-16-4-5-17(12)8-9-2-3-10(13)11(14)6-9/h2-6,15H,7-8H2,1H3.
What are the key properties of 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine?
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine has a molecular weight of 270.16 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 42656322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).