(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C16H25N3 — CID 24856291

IUPAC(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C
InChIInChI=1S/C16H25N3/c1-4-13(2)10-11-19-14(3)12-17-16(19)18-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyPDZFVTGOYBXVAX-KZUDCZAMSA-N
MW259.40 g/mol
LogP3.59
Rot. Bonds5

About (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856291) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856291
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C
InChIInChI=1S/C16H25N3/c1-4-13(2)10-11-19-14(3)12-17-16(19)18-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyPDZFVTGOYBXVAX-KZUDCZAMSA-N
XLogP3.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856291) is (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C.
What is the InChIKey of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is PDZFVTGOYBXVAX-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-13(2)10-11-19-14(3)12-17-16(19)18-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,17,18)/t13?,14-/m0/s1.
What are the key properties of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).