1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine

C13H16ClN3 — CID 106558751

IUPAC1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-8-15-13-16-10(2)9-17(13)12-7-5-4-6-11(12)14/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyOQAADLVICWKJKL-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine

1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106558751) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106558751
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-8-15-13-16-10(2)9-17(13)12-7-5-4-6-11(12)14/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyOQAADLVICWKJKL-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106580659
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
N-(2-methoxyethyl)-4-methyl-1-(2-propylphenyl)imidazol-2-amine
CID 106567372
1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
1-(2-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106558908
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine (CID 106558751) is 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is OQAADLVICWKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-8-15-13-16-10(2)9-17(13)12-7-5-4-6-11(12)14/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine?
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106558751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).