3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine

C14H17N3 — CID 62018672

IUPAC3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(C3CC3)c2N)c(C)c1
InChIInChI=1S/C14H17N3/c1-9-3-6-12(10(2)7-9)13-14(15)17(8-16-13)11-4-5-11/h3,6-8,11H,4-5,15H2,1-2H3
InChIKeySCEFCZQKRHHYCZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.08
Rot. Bonds2

About 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine

3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine (PubChem CID 62018672) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
PubChem CID62018672
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(C3CC3)c2N)c(C)c1
InChIInChI=1S/C14H17N3/c1-9-3-6-12(10(2)7-9)13-14(15)17(8-16-13)11-4-5-11/h3,6-8,11H,4-5,15H2,1-2H3
InChIKeySCEFCZQKRHHYCZ-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine (CID 62018672) is 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine is Cc1ccc(-c2ncn(C3CC3)c2N)c(C)c1.
What is the InChIKey of 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
The InChIKey is SCEFCZQKRHHYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-3-6-12(10(2)7-9)13-14(15)17(8-16-13)11-4-5-11/h3,6-8,11H,4-5,15H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine is sourced from PubChem (CID 62018672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).