(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C24H31N3 — CID 24856247

IUPAC(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESc1ccc(C[C@H]2CN=C(Nc3ccccc3)N2CCCC2CCCC2)cc1
InChIInChI=1S/C24H31N3/c1-3-12-21(13-4-1)18-23-19-25-24(26-22-15-5-2-6-16-22)27(23)17-9-14-20-10-7-8-11-20/h1-6,12-13,15-16,20,23H,7-11,14,17-19H2,(H,25,26)/t23-/m0/s1
InChIKeyVSXMJSNBHKPJLB-QHCPKHFHSA-N
MW361.53 g/mol
LogP5.35
Rot. Bonds7

About (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856247) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856247
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESc1ccc(C[C@H]2CN=C(Nc3ccccc3)N2CCCC2CCCC2)cc1
InChIInChI=1S/C24H31N3/c1-3-12-21(13-4-1)18-23-19-25-24(26-22-15-5-2-6-16-22)27(23)17-9-14-20-10-7-8-11-20/h1-6,12-13,15-16,20,23H,7-11,14,17-19H2,(H,25,26)/t23-/m0/s1
InChIKeyVSXMJSNBHKPJLB-QHCPKHFHSA-N
XLogP5.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856247) is (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is c1ccc(C[C@H]2CN=C(Nc3ccccc3)N2CCCC2CCCC2)cc1.
What is the InChIKey of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is VSXMJSNBHKPJLB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31N3/c1-3-12-21(13-4-1)18-23-19-25-24(26-22-15-5-2-6-16-22)27(23)17-9-14-20-10-7-8-11-20/h1-6,12-13,15-16,20,23H,7-11,14,17-19H2,(H,25,26)/t23-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 361.53 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).