(5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C15H23N3 — CID 24856261

IUPAC(5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(Nc2ccccc2)=NC[C@@H]1CC(C)C
InChIInChI=1S/C15H23N3/c1-4-18-14(10-12(2)3)11-16-15(18)17-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyXGTILRVSTJGFDE-AWEZNQCLSA-N
MW245.37 g/mol
LogP3.20
Rot. Bonds4

About (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856261) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856261
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(Nc2ccccc2)=NC[C@@H]1CC(C)C
InChIInChI=1S/C15H23N3/c1-4-18-14(10-12(2)3)11-16-15(18)17-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyXGTILRVSTJGFDE-AWEZNQCLSA-N
XLogP3.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856261) is (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CCN1C(Nc2ccccc2)=NC[C@@H]1CC(C)C.
What is the InChIKey of (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XGTILRVSTJGFDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-18-14(10-12(2)3)11-16-15(18)17-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-ethyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).