1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine

C15H23N3 — CID 79506049

IUPAC1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCCC(C)C1CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-3-7-12(2)14-10-17-15(16)18(14)11-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H2,16,17)
InChIKeyXMJGIXXDTZTXLB-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.62
Rot. Bonds5

About 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine

1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79506049) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79506049
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCCC(C)C1CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-3-7-12(2)14-10-17-15(16)18(14)11-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H2,16,17)
InChIKeyXMJGIXXDTZTXLB-UHFFFAOYSA-N
XLogP2.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine (CID 79506049) is 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine is CCCC(C)C1CN=C(N)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is XMJGIXXDTZTXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-7-12(2)14-10-17-15(16)18(14)11-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H2,16,17).
What are the key properties of 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine?
1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79506049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).