5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine

C17H25N3 — CID 63469456

IUPAC5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)C)nc(-c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C17H25N3/c1-6-9-20-16(18)15(19-17(20)11(2)3)14-8-7-12(4)13(5)10-14/h7-8,10-11H,6,9,18H2,1-5H3
InChIKeyBJSMRIYDIUKKER-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.28
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine (PubChem CID 63469456) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
PubChem CID63469456
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)C)nc(-c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C17H25N3/c1-6-9-20-16(18)15(19-17(20)11(2)3)14-8-7-12(4)13(5)10-14/h7-8,10-11H,6,9,18H2,1-5H3
InChIKeyBJSMRIYDIUKKER-UHFFFAOYSA-N
XLogP4.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine (CID 63469456) is 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine is CCCn1c(C(C)C)nc(-c2ccc(C)c(C)c2)c1N.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
The InChIKey is BJSMRIYDIUKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-9-20-16(18)15(19-17(20)11(2)3)14-8-7-12(4)13(5)10-14/h7-8,10-11H,6,9,18H2,1-5H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine is sourced from PubChem (CID 63469456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).