1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

C13H15Cl2N3 — CID 65316101

IUPAC1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-9-17-7-12(6-16-2)18(9)8-10-5-11(14)3-4-13(10)15/h3-5,7,16H,6,8H2,1-2H3
InChIKeyJOXTXOJJNGWLRI-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.27
Rot. Bonds4

About 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (PubChem CID 65316101) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
PubChem CID65316101
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnc(C)n1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-9-17-7-12(6-16-2)18(9)8-10-5-11(14)3-4-13(10)15/h3-5,7,16H,6,8H2,1-2H3
InChIKeyJOXTXOJJNGWLRI-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172920
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114859912
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 103050362
1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172660
N-methyl-1-[2-methyl-3-(naphthalen-1-ylmethyl)imidazol-4-yl]methanamine
CID 65172711
1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173081
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107888054
3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine
CID 65318608
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115984376
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107310259
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65172284

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (CID 65316101) is 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is CNCc1cnc(C)n1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The InChIKey is JOXTXOJJNGWLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-9-17-7-12(6-16-2)18(9)8-10-5-11(14)3-4-13(10)15/h3-5,7,16H,6,8H2,1-2H3.
What are the key properties of 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65316101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).