3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine

C13H13Cl2N3 — CID 62224310

IUPAC3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
SMILESCc1nc(-c2c(Cl)cccc2Cl)c(N)n1C1CC1
InChIInChI=1S/C13H13Cl2N3/c1-7-17-12(13(16)18(7)8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8H,5-6,16H2,1H3
InChIKeyIDURBEKSLNISNY-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.08
Rot. Bonds2

About 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine

3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine (PubChem CID 62224310) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
PubChem CID62224310
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
SMILESCc1nc(-c2c(Cl)cccc2Cl)c(N)n1C1CC1
InChIInChI=1S/C13H13Cl2N3/c1-7-17-12(13(16)18(7)8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8H,5-6,16H2,1H3
InChIKeyIDURBEKSLNISNY-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine (CID 62224310) is 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine is Cc1nc(-c2c(Cl)cccc2Cl)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine?
The InChIKey is IDURBEKSLNISNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-7-17-12(13(16)18(7)8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8H,5-6,16H2,1H3.
What are the key properties of 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine?
3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 62224310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).