3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine

C17H23N3 — CID 62218283

IUPAC3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine
SMILESCCC(C)c1nc(C2CC2)n(Cc2ccccc2)c1N
InChIInChI=1S/C17H23N3/c1-3-12(2)15-16(18)20(17(19-15)14-9-10-14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,18H2,1-2H3
InChIKeyWTSILPFGOXFYNW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.90
Rot. Bonds5

About 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine

3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine (PubChem CID 62218283) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine
PubChem CID62218283
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine
SMILESCCC(C)c1nc(C2CC2)n(Cc2ccccc2)c1N
InChIInChI=1S/C17H23N3/c1-3-12(2)15-16(18)20(17(19-15)14-9-10-14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,18H2,1-2H3
InChIKeyWTSILPFGOXFYNW-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine?
The IUPAC name of 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine (CID 62218283) is 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine?
The canonical SMILES for 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine is CCC(C)c1nc(C2CC2)n(Cc2ccccc2)c1N.
What is the InChIKey of 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine?
The InChIKey is WTSILPFGOXFYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-12(2)15-16(18)20(17(19-15)14-9-10-14)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,18H2,1-2H3.
What are the key properties of 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine?
3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine is sourced from PubChem (CID 62218283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).