(5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C18H29N3 — CID 24856295

IUPAC(5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1CC(C)C
InChIInChI=1S/C18H29N3/c1-14(2)10-11-21-17(12-15(3)4)13-19-18(21)20-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,19,20)/t17-/m0/s1
InChIKeyDGQASVOUFYTRKQ-KRWDZBQOSA-N
MW287.45 g/mol
LogP4.23
Rot. Bonds6

About (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856295) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856295
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1CC(C)C
InChIInChI=1S/C18H29N3/c1-14(2)10-11-21-17(12-15(3)4)13-19-18(21)20-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,19,20)/t17-/m0/s1
InChIKeyDGQASVOUFYTRKQ-KRWDZBQOSA-N
XLogP4.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856295) is (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1CC(C)C.
What is the InChIKey of (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DGQASVOUFYTRKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)10-11-21-17(12-15(3)4)13-19-18(21)20-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3-methylbutyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).