3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine

C17H23N3 — CID 62222087

IUPAC3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine
SMILESCCC(CC)c1nc(-c2ccccc2)n(C2CC2)c1N
InChIInChI=1S/C17H23N3/c1-3-12(4-2)15-16(18)20(14-10-11-14)17(19-15)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,18H2,1-2H3
InChIKeyNQLWXWVSUQGCFQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.37
Rot. Bonds5

About 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine

3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine (PubChem CID 62222087) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine
PubChem CID62222087
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine
SMILESCCC(CC)c1nc(-c2ccccc2)n(C2CC2)c1N
InChIInChI=1S/C17H23N3/c1-3-12(4-2)15-16(18)20(14-10-11-14)17(19-15)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,18H2,1-2H3
InChIKeyNQLWXWVSUQGCFQ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine (CID 62222087) is 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine is CCC(CC)c1nc(-c2ccccc2)n(C2CC2)c1N.
What is the InChIKey of 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine?
The InChIKey is NQLWXWVSUQGCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-12(4-2)15-16(18)20(14-10-11-14)17(19-15)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,18H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine?
3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine is sourced from PubChem (CID 62222087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).