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

C17H23N3 — CID 62220013

IUPAC2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine
SMILESCCCn1c(C2CC2)nc(-c2ccc(C)cc2C)c1N
InChIInChI=1S/C17H23N3/c1-4-9-20-16(18)15(19-17(20)13-6-7-13)14-8-5-11(2)10-12(14)3/h5,8,10,13H,4,6-7,9,18H2,1-3H3
InChIKeyBCNJVGDVJCEVRV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.04
Rot. Bonds4

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

2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine (PubChem CID 62220013) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine
PubChem CID62220013
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine
SMILESCCCn1c(C2CC2)nc(-c2ccc(C)cc2C)c1N
InChIInChI=1S/C17H23N3/c1-4-9-20-16(18)15(19-17(20)13-6-7-13)14-8-5-11(2)10-12(14)3/h5,8,10,13H,4,6-7,9,18H2,1-3H3
InChIKeyBCNJVGDVJCEVRV-UHFFFAOYSA-N
XLogP4.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine (CID 62220013) is 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine is CCCn1c(C2CC2)nc(-c2ccc(C)cc2C)c1N.
What is the InChIKey of 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine?
The InChIKey is BCNJVGDVJCEVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-9-20-16(18)15(19-17(20)13-6-7-13)14-8-5-11(2)10-12(14)3/h5,8,10,13H,4,6-7,9,18H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine?
2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine is sourced from PubChem (CID 62220013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).