N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine

C12H13Cl2N3 — CID 106556357

IUPACN-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-8(2)17-6-5-15-12(17)16-11-4-3-9(13)7-10(11)14/h3-8H,1-2H3,(H,15,16)
InChIKeyFHHPTTNKYMAECM-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.51
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine

N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106556357) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106556357
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC NameN-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-8(2)17-6-5-15-12(17)16-11-4-3-9(13)7-10(11)14/h3-8H,1-2H3,(H,15,16)
InChIKeyFHHPTTNKYMAECM-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine
CID 107628310
N-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106556363
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106559222
N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106568967
N-(3,4-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106560254
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983
2,4-dichloro-N-methylaniline
CID 2800935
1-methyl-N-(2,4,5-trichlorophenyl)imidazol-2-amine
CID 106556588
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
1-propan-2-yl-N-(4-propan-2-yloxyphenyl)imidazol-2-amine
CID 106560811
N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide
CID 23162526

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine (CID 106556357) is N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1ccnc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is FHHPTTNKYMAECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-8(2)17-6-5-15-12(17)16-11-4-3-9(13)7-10(11)14/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine?
N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 270.16 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106556357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).