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

C23H31N3 — CID 25102668

IUPAC(5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCC(C)c1ccccc1
InChIInChI=1S/C23H31N3/c1-18(2)16-22-17-24-23(25-21-12-8-5-9-13-21)26(22)15-14-19(3)20-10-6-4-7-11-20/h4-13,18-19,22H,14-17H2,1-3H3,(H,24,25)/t19?,22-/m0/s1
InChIKeyOSCXLURORMOWJB-BPARTEKVSA-N
MW349.52 g/mol
LogP5.38
Rot. Bonds7

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

(5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102668) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102668
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name(5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCC(C)c1ccccc1
InChIInChI=1S/C23H31N3/c1-18(2)16-22-17-24-23(25-21-12-8-5-9-13-21)26(22)15-14-19(3)20-10-6-4-7-11-20/h4-13,18-19,22H,14-17H2,1-3H3,(H,24,25)/t19?,22-/m0/s1
InChIKeyOSCXLURORMOWJB-BPARTEKVSA-N
XLogP5.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7333
Antazoline
CID 2200
Epinastine
CID 3241
Antazoline Hydrochloride
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Epinastine Hydrochloride
CID 157313
Tramazoline
CID 5524
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
Tramazoline Hydrochloride
CID 443950
St 91
CID 20864
Imidazolidine, 2-(2-methylphenylimino)-
CID 142067
N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194
N,N'-Bis-(4-butyl-phenyl)-guanidine
CID 10496171

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine (CID 25102668) is (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine is CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCC(C)c1ccccc1.
What is the InChIKey of (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is OSCXLURORMOWJB-BPARTEKVSA-N. The full InChI is InChI=1S/C23H31N3/c1-18(2)16-22-17-24-23(25-21-12-8-5-9-13-21)26(22)15-14-19(3)20-10-6-4-7-11-20/h4-13,18-19,22H,14-17H2,1-3H3,(H,24,25)/t19?,22-/m0/s1.
What are the key properties of (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 349.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropyl)-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).