N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine

C13H13Cl2N3 — CID 106583716

IUPACN-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Cl)ccc2Cl)c(NC2CC2)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-7-18(13(16-8)17-10-3-4-10)12-6-9(14)2-5-11(12)15/h2,5-7,10H,3-4H2,1H3,(H,16,17)
InChIKeyXNGWAPYMAQYCIZ-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.06
Rot. Bonds3

About N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine

N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine (PubChem CID 106583716) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
PubChem CID106583716
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Cl)ccc2Cl)c(NC2CC2)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-7-18(13(16-8)17-10-3-4-10)12-6-9(14)2-5-11(12)15/h2,5-7,10H,3-4H2,1H3,(H,16,17)
InChIKeyXNGWAPYMAQYCIZ-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106557711
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
N-cyclopropyl-4-methyl-1-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570979
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
CID 106562841
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine (CID 106583716) is N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine is Cc1cn(-c2cc(Cl)ccc2Cl)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine?
The InChIKey is XNGWAPYMAQYCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8-7-18(13(16-8)17-10-3-4-10)12-6-9(14)2-5-11(12)15/h2,5-7,10H,3-4H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine?
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine has a molecular weight of 282.17 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106583716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).