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

C26H29N3 — CID 24856244

IUPAC(5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(CCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3/c1-21(23-13-7-3-8-14-23)17-18-29-25(19-22-11-5-2-6-12-22)20-27-26(29)28-24-15-9-4-10-16-24/h2-16,21,25H,17-20H2,1H3,(H,27,28)/t21?,25-/m0/s1
InChIKeyFCZGBLOBPUZQRI-QBGQUKIHSA-N
MW383.54 g/mol
LogP5.58
Rot. Bonds7

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

(5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 24856244) has the molecular formula C26H29N3 and a molecular weight of 383.54 g/mol. Its IUPAC name is (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID24856244
Molecular FormulaC26H29N3
Molecular Weight383.54 g/mol
Exact Mass383.24
IUPAC Name(5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(CCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3/c1-21(23-13-7-3-8-14-23)17-18-29-25(19-22-11-5-2-6-12-22)20-27-26(29)28-24-15-9-4-10-16-24/h2-16,21,25H,17-20H2,1H3,(H,27,28)/t21?,25-/m0/s1
InChIKeyFCZGBLOBPUZQRI-QBGQUKIHSA-N
XLogP5.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2200
Epinastine
CID 3241
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N,N'-Bis-(4-isopropyl-phenyl)-guanidine
CID 13781937
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenylaniline
CID 44352155
1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride
CID 162655408
4-(4-Fluoroanilino)-6-[(1-phenylethyl)amino]-1,3,5-triazine-2-thiol
CID 2892943
1,3-Bis-(4-sec-butyl-phenyl)-tetrahydro-pyrimidin-2-ylideneamine; hydrobromide
CID 10433574
N,N'-di-(m-ethylphenyl)-N-methylguanidine
CID 9921810
N,N''-Bis-biphenyl-4-yl-guanidine
CID 10784939

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine (CID 24856244) is (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine is CC(CCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FCZGBLOBPUZQRI-QBGQUKIHSA-N. The full InChI is InChI=1S/C26H29N3/c1-21(23-13-7-3-8-14-23)17-18-29-25(19-22-11-5-2-6-12-22)20-27-26(29)28-24-15-9-4-10-16-24/h2-16,21,25H,17-20H2,1H3,(H,27,28)/t21?,25-/m0/s1.
What are the key properties of (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 383.54 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).